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

Details

Stereochemistry ABSOLUTE
Molecular Formula C30H42O4
Molecular Weight 466.6521
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 3,11-DIOXO-24-NOROLEANA-4,12-DIEN-29-OIC ACID, (20 BETA)-

SMILES

COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CCC(=O)C(C)=C5CC[C@@]34C)[C@@H]2C1

InChI

InChIKey=RHCUXWWQGAKDDH-GHCMNFIESA-N
InChI=1S/C30H42O4/c1-18-19-8-11-30(6)24(28(19,4)10-9-22(18)31)23(32)16-20-21-17-27(3,25(33)34-7)13-12-26(21,2)14-15-29(20,30)5/h16,21,24H,8-15,17H2,1-7H3/t21-,24+,26+,27-,28-,29+,30+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
METHYL 3,11-DIOXO-24-NOROLEANA-4,12-DIEN-29-OIC ACID, (20 BETA)
Preferred Name English
METHYL 3,11-DIOXO-24-NOROLEANA-4,12-DIEN-29-OIC ACID, (20 BETA)-
Common Name English
METHYL (2S,4AS,6AR,6AS,6BR,12AR,14BR)-2,4A,6A,6B,9,12A-HEXAMETHYL-10,13-DIOXO-3,4,5,6,6A,7,8,11,12,14B-DECAHYDRO-1H-PICENE-2-CARBOXYLATE
Systematic Name English
24-NOROLEANA-4,12-DIEN-29-OIC ACID, 3,11-DIOXO-, METHYL ESTER, (20.BETA.)-
Systematic Name English
Code System Code Type Description
PUBCHEM
122201345
Created by admin on Tue Apr 01 19:51:31 GMT 2025 , Edited by admin on Tue Apr 01 19:51:31 GMT 2025
PRIMARY
CAS
50465-14-0
Created by admin on Tue Apr 01 19:51:31 GMT 2025 , Edited by admin on Tue Apr 01 19:51:31 GMT 2025
PRIMARY
FDA UNII
4P9H72BP1T
Created by admin on Tue Apr 01 19:51:31 GMT 2025 , Edited by admin on Tue Apr 01 19:51:31 GMT 2025
PRIMARY