BETA-SITOSTEROL-ACETATE

Structure

2D structure of BETA-SITOSTEROL-ACETATE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 5354503

Names and identifiers

Name

BETA-SITOSTEROL-ACETATE

IUPAC name

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

SMILES

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

General information

Molecular formula

C31H52O2

Molecular weight

456.76 g/mol

Monoisotopic mass

456.3967 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Achillea millefolium L. subsp. millefolium - -
Pedersen, M. 1987. Nutritional Herbology. Pederson Publishing. Bountiful, Utah. 377 pp.