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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H38O4
Molecular Weight 426.5882
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 7
Charge 0

SHOW SMILES / InChI
Structure of AZAFRIN

SMILES

CC(\C=C\C=C(C)\C=C\[C@@]1(O)C(C)(C)CCC[C@@]1(C)O)=C/C=C/C=C(C)/C=C/C(O)=O

InChI

InChIKey=NYWCITDWPAZNBU-DYISAODMSA-N
InChI=1S/C27H38O4/c1-21(11-7-8-12-22(2)15-16-24(28)29)13-9-14-23(3)17-20-27(31)25(4,5)18-10-19-26(27,6)30/h7-9,11-17,20,30-31H,10,18-19H2,1-6H3,(H,28,29)/b8-7+,13-9+,16-15+,20-17+,21-11+,22-12+,23-14+/t26-,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H38O4
Molecular Weight 426.5882
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 7
Optical Activity UNSPECIFIED

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:09:26 GMT 2023
Edited
by admin
on Sat Dec 16 10:09:26 GMT 2023
Record UNII
KTC84VDE1O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AZAFRIN
MI  
Common Name English
2,4,6,8,10,12,14-PENTADECAHEPTAENOIC ACID, 15-((1R,2R)-1,2-DIHYDROXY-2,6,6-TRIMETHYLCYCLOHEXYL)-4,9,13-TRIMETHYL-, (2E,4E,6E,8E,10E,12E,14E)-
Common Name English
AZAFRIN [MI]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID90878674
Created by admin on Sat Dec 16 10:09:26 GMT 2023 , Edited by admin on Sat Dec 16 10:09:26 GMT 2023
PRIMARY
PUBCHEM
5281225
Created by admin on Sat Dec 16 10:09:26 GMT 2023 , Edited by admin on Sat Dec 16 10:09:26 GMT 2023
PRIMARY
MERCK INDEX
m2158
Created by admin on Sat Dec 16 10:09:26 GMT 2023 , Edited by admin on Sat Dec 16 10:09:26 GMT 2023
PRIMARY Merck Index
FDA UNII
KTC84VDE1O
Created by admin on Sat Dec 16 10:09:26 GMT 2023 , Edited by admin on Sat Dec 16 10:09:26 GMT 2023
PRIMARY
CAS
507-61-9
Created by admin on Sat Dec 16 10:09:26 GMT 2023 , Edited by admin on Sat Dec 16 10:09:26 GMT 2023
PRIMARY