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Details

Stereochemistry ACHIRAL
Molecular Formula C21H28O2
Molecular Weight 312.4458
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of BMY-30047

SMILES

CC(\C=C\C1=C(C)CCCC1(C)C)=C/C=C2/COC(=O)C=C2C

InChI

InChIKey=WNJXJEKGNNOKTH-CQKXMAEQSA-N
InChI=1S/C21H28O2/c1-15(8-10-18-14-23-20(22)13-17(18)3)9-11-19-16(2)7-6-12-21(19,4)5/h8-11,13H,6-7,12,14H2,1-5H3/b11-9+,15-8+,18-10-

HIDE SMILES / InChI

Molecular Formula C21H28O2
Molecular Weight 312.4458
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 3
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:28:51 GMT 2023
Edited
by admin
on Fri Dec 15 15:28:51 GMT 2023
Record UNII
376T7G5N1P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BMY-30047
Common Name English
11-CIS-13-CIS-12-HYDROXYMETHYL RETINOIC ACID DELTA-LACTONE
Common Name English
RETINOIC ACID, 12-(HYDROXYMETHYL)-, .DELTA.-LACTONE
Common Name English
12-(HYDROXYMETHYL)RETINOIC ACID .DELTA.-LACTONE, 11-CIS-
Common Name English
RETINOIC ACID, 12-(HYDROXYMETHYL)-, .DELTA.-LACTONE, 11-CIS-
Common Name English
Code System Code Type Description
PUBCHEM
9883252
Created by admin on Fri Dec 15 15:28:51 GMT 2023 , Edited by admin on Fri Dec 15 15:28:51 GMT 2023
PRIMARY
FDA UNII
376T7G5N1P
Created by admin on Fri Dec 15 15:28:51 GMT 2023 , Edited by admin on Fri Dec 15 15:28:51 GMT 2023
PRIMARY
CAS
83803-32-1
Created by admin on Fri Dec 15 15:28:51 GMT 2023 , Edited by admin on Fri Dec 15 15:28:51 GMT 2023
PRIMARY
EPA CompTox
DTXSID801003962
Created by admin on Fri Dec 15 15:28:51 GMT 2023 , Edited by admin on Fri Dec 15 15:28:51 GMT 2023
PRIMARY
CAS
83860-24-6
Created by admin on Fri Dec 15 15:28:51 GMT 2023 , Edited by admin on Fri Dec 15 15:28:51 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
Related Record Type Details
ACTIVE MOIETY