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

Details

Stereochemistry ABSOLUTE
Molecular Formula C30H44O5
Molecular Weight 484.6674
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GARSUBELLIN A

SMILES

CC(C)C(=O)[C@@]12C(=O)C(CC=C(C)C)=C3O[C@@H](C[C@]3(C[C@H](CC=C(C)C)C1(C)C)C2=O)C(C)(C)O

InChI

InChIKey=UWZUPSXSBAFYHU-CZDCCFESSA-N
InChI=1S/C30H44O5/c1-17(2)11-13-20-15-29-16-22(28(9,10)34)35-25(29)21(14-12-18(3)4)24(32)30(26(29)33,27(20,7)8)23(31)19(5)6/h11-12,19-20,22,34H,13-16H2,1-10H3/t20-,22-,29-,30-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
GARSUBELLIN A
Common Name English
GARSUBELLIN A [MI]
Preferred Name English
GARSUBELLINE A
Common Name English
8H-3A,7-METHANOCYCLOOCTA(B)FURAN-8,10-DIONE, 2,3,4,5,6,7-HEXAHYDRO-2-(1-HYDROXY-1-METHYLETHYL)-6,6-DIMETHYL-5,9-BIS(3-METHYL-2-BUTEN-1-YL)-7-(2-METHYL-1-OXOPROPYL)-, (2S,3AS,5S,7R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
11518692
Created by admin on Wed Apr 02 07:37:12 GMT 2025 , Edited by admin on Wed Apr 02 07:37:12 GMT 2025
PRIMARY
CAS
191156-04-4
Created by admin on Wed Apr 02 07:37:12 GMT 2025 , Edited by admin on Wed Apr 02 07:37:12 GMT 2025
PRIMARY
EPA CompTox
DTXSID501098912
Created by admin on Wed Apr 02 07:37:12 GMT 2025 , Edited by admin on Wed Apr 02 07:37:12 GMT 2025
PRIMARY
FDA UNII
X76SU8XAS3
Created by admin on Wed Apr 02 07:37:12 GMT 2025 , Edited by admin on Wed Apr 02 07:37:12 GMT 2025
PRIMARY
MERCK INDEX
m11784
Created by admin on Wed Apr 02 07:37:12 GMT 2025 , Edited by admin on Wed Apr 02 07:37:12 GMT 2025
PRIMARY