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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H28O3
Molecular Weight 316.4345
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 4
Charge 0

SHOW SMILES / InChI
Structure of RO-61-9538

SMILES

CC(\C=C\C1=C(C)C[C@@H](O)CC1(C)C)=C/C=C/C(C)=C\C(O)=O

InChI

InChIKey=FRMQNYSFAZVOGJ-CCKACSLISA-N
InChI=1S/C20H28O3/c1-14(7-6-8-15(2)11-19(22)23)9-10-18-16(3)12-17(21)13-20(18,4)5/h6-11,17,21H,12-13H2,1-5H3,(H,22,23)/b8-6+,10-9+,14-7+,15-11-/t17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H28O3
Molecular Weight 316.4345
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 4
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 21:04:23 GMT 2025
Edited
by admin
on Wed Apr 02 21:04:23 GMT 2025
Record UNII
S4D5PH9YF6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RO-61-9538
Code English
RO 61-9538
Preferred Name English
RO-619538
Code English
13-cis-3-hydroxyretinoic acid
Common Name English
Retinoic acid, 3-hydroxy-, (3R,13-cis)-
Common Name English
(2Z,4E,6E,8E)-9-[(4R)-4-Hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid
Systematic Name English
Code System Code Type Description
CAS
198415-76-8
Created by admin on Wed Apr 02 21:04:24 GMT 2025 , Edited by admin on Wed Apr 02 21:04:24 GMT 2025
PRIMARY
PUBCHEM
9883410
Created by admin on Wed Apr 02 21:04:24 GMT 2025 , Edited by admin on Wed Apr 02 21:04:24 GMT 2025
PRIMARY
FDA UNII
S4D5PH9YF6
Created by admin on Wed Apr 02 21:04:24 GMT 2025 , Edited by admin on Wed Apr 02 21:04:24 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE ACTIVE