Substances (GSRS)

24,30-DINOROLEANA-12,20(29)-DIEN-28-OIC ACID, 3,4-DIHYDROXY-, (3.BETA.,4.BETA.)-

Also: 4A(2H)-PICENECARBOXYLIC ACID, 1,3,4,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13,14B-OCTADECAHYDRO-9,10-DIHYDROXY-6A,6B,9,12A-TETRAMETHYL-2-METHY…

chemicalUNII MZ4D4S9JD3

Open FDA's page for this record

Substance class

chemical

Definition type

PRIMARY

Definition level

COMPLETE

Uuid

84cd6250-e06e-40e2-984d-b297d0329031

Version

UNII

MZ4D4S9JD3

Codes

Uuid
e3eac795-006b-4822-956c-db0babcb7caf
Code
851223-38-6
Type
PRIMARY
Url
https://commonchemistry.cas.org/detail?cas_rn=851223-38-6
Code system
CAS
References
7f0fe43e-ca40-4573-bf02-9ca30f1efeba, 9fc36d17-0779-4ab9-ac92-702b34159ab9
Uuid
53b2cae7-5d5f-1d75-c136-2097d69748d1
Code
154584964
Type
PRIMARY
Url
https://pubchem.ncbi.nlm.nih.gov/compound/154584964
Code system
PUBCHEM
References
a2d2dd02-c3f6-8cb3-8959-d8a886dd5309
Uuid
04b1aafe-5514-4a3e-94af-63c5ca692c77
Code
MZ4D4S9JD3
Type
PRIMARY
Code system
FDA UNII

Names

Uuid
d2703964-f8f3-4b11-9c1e-763e4aae4b00
Name
24,30-DINOROLEANA-12,20(29)-DIEN-28-OIC ACID, 3,4-DIHYDROXY-, (3.BETA.,4.BETA.)-
StdName
24,30-DINOROLEANA-12,20(29)-DIEN-28-OIC ACID, 3,4-DIHYDROXY-, (3.BETA.,4.BETA.)-
Type
sys
Preferred
false
Display name
false
Languages
en
References
fa40a311-4496-463d-9607-b0b4a3fb03dd, c6f57be4-62d2-46fb-a063-d826a1dc0e8f
Uuid
55022bd1-e9e4-4e56-8f03-d89b7016a9d7
Type
sys
Preferred
false
Display name
false
Name
4A(2H)-PICENECARBOXYLIC ACID, 1,3,4,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13,14B-OCTADECAHYDRO-9,10-DIHYDROXY-6A,6B,9,12A-TETRAMETHYL-2-METHYLENE-, (4AS,6AS,6BR,8AR,9R,10S,12AR,12BR,14BS)-
StdName
4A(2H)-PICENECARBOXYLIC ACID, 1,3,4,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13,14B-OCTADECAHYDRO-9,10-DIHYDROXY-6A,6B,9,12A-TETRAMETHYL-2-METHYLENE-, (4AS,6AS,6BR,8AR,9R,10S,12AR,12BR,14BS)-
Languages
en
References
fa40a311-4496-463d-9607-b0b4a3fb03dd, c6f57be4-62d2-46fb-a063-d826a1dc0e8f
Uuid
4f39d40c-6507-4fff-aec5-f46d61e961f1
Name
PAEONENOIDE C
StdName
PAEONENOIDE C
Type
cn
Preferred
false
Display name
true
Languages
en
References
fa40a311-4496-463d-9607-b0b4a3fb03dd, c6f57be4-62d2-46fb-a063-d826a1dc0e8f

References

Uuid
c6f57be4-62d2-46fb-a063-d826a1dc0e8f
Citation
STN
Doc type
SRS
Public domain
true
Tags
NOMEN, PUBLIC_DOMAIN_RELEASE
Uuid
fa40a311-4496-463d-9607-b0b4a3fb03dd
Citation
STN (SCIFINDER)
Doc type
STN (SCIFINDER)
Public domain
true
Tags
NOMEN
Uuid
7f0fe43e-ca40-4573-bf02-9ca30f1efeba
Citation
SRS CODE IMPORT
Doc type
SRS
Public domain
true
Document date
1493390764000
Tags
NOMEN
Uuid
a2d2dd02-c3f6-8cb3-8959-d8a886dd5309
Citation
PUBCHEM
Doc type
PUBCHEM
Public domain
true
Uuid
9fc36d17-0779-4ab9-ac92-702b34159ab9
Citation
STN
Doc type
STN (SCIFINDER)
Public domain
true

Moieties

Uuid
3bdd8d5b-c972-4541-9530-601a4639e5bd
ID
3bdd8d5b-c972-4541-9530-601a4639e5bd
Smiles
C=C1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H]([C@](C)([C@@H]5CC[C@]43C)O)O)[C@@H]2C1)C(=O)O
Formula
C28H42O4
Atropisomerism
No
Charge
0
Count
1
Stereochemistry
ABSOLUTE
Defined stereo
9
Ez centers
0
Molecular weight
442.6317
Optical activity
UNSPECIFIED
Stereo centers
9
Molfile
Marvin 01132103102D 32 36 0 0 1 0 999 V2000 9.8867 -10.8727 0.0000 C 0 0 1 0 0 0 0 0 0 2 0 0 9.1722 -11.2852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8867 -10.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6012 -9.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3157 -10.0477 0.0000 C 0 0 1 0 0 0 0 0 0 1 0 0 11.3157 -9.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3157 -10.8727 0.0000 C 0 0 1 0 0 0 0 0 0 1 0 0 12.0301 -11.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7446 -10.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7446 -10.0477 0.0000 C 0 0 2 0 0 0 0 0 0 1 0 0 12.7446 -9.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0301 -9.6352 0.0000 C 0 0 2 0 0 0 0 0 0 1 0 0 12.0301 -8.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7446 -8.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4591 -8.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1735 -8.3977 0.0000 C 0 0 2 0 0 0 0 0 0 2 0 0 14.1735 -7.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8880 -7.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8880 -6.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6025 -7.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6025 -8.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8880 -8.8102 0.0000 C 0 0 2 0 0 0 0 0 0 2 0 0 14.8880 -9.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1735 -10.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4591 -9.6352 0.0000 C 0 0 1 0 0 0 0 0 0 2 0 0 13.4591 -10.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6025 -9.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6025 -10.0477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3170 -8.8102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6012 -11.2852 0.0000 C 0 0 1 0 0 0 0 0 0 2 0 0 10.1887 -11.9996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0137 -11.9996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 1 3 1 0 0 0 0 1 30 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 1 0 0 0 7 5 1 0 0 0 0 12 5 1 0 0 0 0 7 8 1 1 0 0 0 30 7 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 1 0 0 0 10 12 1 0 0 0 0 10 25 1 0 0 0 0 12 13 1 1 0 0 0 14 13 1 0 0 0 0 15 14 2 0 0 0 0 16 15 1 6 0 0 0 25 15 1 0 0 0 0 16 17 1 0 0 0 0 16 22 1 0 0 0 0 18 17 1 0 0 0 0 18 19 2 0 0 0 0 20 18 1 0 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 1 0 0 0 24 23 1 0 0 0 0 25 24 1 0 0 0 0 25 26 1 6 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 30 31 1 1 0 0 0 30 32 1 0 0 0 0 M END
Count amount
Type
MOL RATIO
Average
1
Units
MOL RATIO
Uuid
611a3471-ae13-4dc3-b4c4-9f0517b79b58

Structure

ID: 89d68d99-0c19-4302-8ab9-1b087459f445
Smiles: C=C1CC[C@@]2(CC[C@]3(C)C(=CC[C@]4([H])[C@@]5(C)CC[C@@H]([C@](C)([C@]5([H])CC[C@]43C)O)O)[C@]2([H])C1)C(=O)O
Formula: C28H42O4
Atropisomerism: No
Charge: 0
Count: 1
Stereochemistry: ABSOLUTE
Defined stereo: 9
Ez centers: 0
Molecular weight: 442.6317
Optical activity: UNSPECIFIED
Stereo centers: 9
Molfile: Marvin 01132107102D 35 39 0 0 1 0 999 V2000 9.8867 -10.8727 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8867 -10.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6012 -9.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6012 -11.2852 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1887 -11.9996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3157 -10.8727 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3157 -11.6977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0301 -11.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7446 -10.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7446 -10.0477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7446 -9.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4591 -9.6352 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4591 -10.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1735 -10.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8880 -9.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8880 -8.8102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6025 -9.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6025 -8.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6025 -7.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8880 -7.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8880 -6.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1735 -7.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1735 -8.3977 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1735 -9.2227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4591 -8.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7446 -8.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0301 -8.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0301 -9.6352 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3157 -10.0477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3157 -9.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6025 -10.0477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3170 -8.8102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0137 -11.9996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1722 -11.2852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0301 -10.4602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 1 4 1 0 0 0 0 4 5 1 1 0 0 0 4 6 1 0 0 0 0 6 7 1 6 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 1 0 0 0 10 12 1 0 0 0 0 12 13 1 6 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 1 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 16 23 1 0 0 0 0 23 25 1 0 0 0 0 12 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 10 28 1 0 0 0 0 28 29 1 0 0 0 0 3 29 1 0 0 0 0 6 29 1 0 0 0 0 29 30 1 1 0 0 0 17 31 2 0 0 0 0 17 32 1 0 0 0 0 4 33 1 6 0 0 0 1 34 1 1 0 0 0 28 35 1 6 0 0 0 M END
References: c6f57be4-62d2-46fb-a063-d826a1dc0e8f

Data from openFDA, FDA's public API. FDA says not to rely on it to make decisions about medical care and to treat every result as unvalidated; confirm against FDA's own record and the product labeling. Not medical or legal advice.