BETA-SITOSTEROL-7-OXO

Structure

2D structure of BETA-SITOSTEROL-7-OXO
2D structure
Drag to rotate, scroll to zoom
3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 21123857

Names and identifiers

Name

BETA-SITOSTEROL-7-OXO

IUPAC name

(8S,9S,10R,13R,14S,17R)-17-((2R,5R)-5-ethyl-6-methylheptan-2-yl)-3-hydroxy-10,13-dimethyl-1,2,3,4,8,9,10,11,12,13,14,15,16,17-tetradecahydro-7H-cyclopenta[a]phenanthren-7-one

SMILES

CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CCC(C4)O)C)C)C(C)C

General information

Molecular formula

C29H48O2

Molecular weight

428.70 g/mol

Monoisotopic mass

428.3654 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Typha latifolia L. - -
Dellagreca, M., Monaco, P., Previtera, L. (1990). Stigmasterols from Typha latifolia. J Nat Prod, 53(6), 1430-1435 doi:10.1021/np50072a005