U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H24O3
Molecular Weight 300.3921
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LY-180299

SMILES

[H][C@@]12CC(=O)C3=C(C=C(C)C=C3)[C@@]1(C)CCC[C@]2(C)C(=O)OC

InChI

InChIKey=HMHGTXPDWINTQG-QRQLOZEOSA-N
InChI=1S/C19H24O3/c1-12-6-7-13-14(10-12)18(2)8-5-9-19(3,17(21)22-4)16(18)11-15(13)20/h6-7,10,16H,5,8-9,11H2,1-4H3/t16-,18-,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H24O3
Molecular Weight 300.3921
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:30:54 GMT 2023
Edited
by admin
on Sat Dec 16 08:30:54 GMT 2023
Record UNII
9L9229F9FJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LY-180299
Common Name English
1-PHENANTHRENECARBOXYLIC ACID, 1,2,3,4,4A,9,10,10A-OCTAHYDRO-1,4A,6-TRIMETHYL-9-OXO-, METHYL ESTER, (1S,4AS,10AR)-
Systematic Name English
METHYL (1S,4AS,10AR)-1,2,3,4,4A,9,10,10A-OCTAHYDRO-1,4A,6-TRIMETHYL-9-OXO-1-PHENANTHRENECARBOXYLATE
Systematic Name English
Code System Code Type Description
CAS
851126-09-5
Created by admin on Sat Dec 16 08:30:54 GMT 2023 , Edited by admin on Sat Dec 16 08:30:54 GMT 2023
PRIMARY
FDA UNII
9L9229F9FJ
Created by admin on Sat Dec 16 08:30:54 GMT 2023 , Edited by admin on Sat Dec 16 08:30:54 GMT 2023
PRIMARY
PUBCHEM
162368371
Created by admin on Sat Dec 16 08:30:54 GMT 2023 , Edited by admin on Sat Dec 16 08:30:54 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY