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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP023669

24S,25S-Epoxy-4a,7a-dihydroxy-1-oxowithanolide

Formula: C28H42O6  |  Mol. Weight: 474.60 g/mol

IUPAC: 4-[1-(4,7-dihydroxy-10,13-dimethyl-1-oxo-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)ethyl]-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-2-one

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Overview

Molecular Formula C28H42O6
Molecular Weight 474.60 g/mol
Canonical SMILES CC(C1CCC2C1(CCC3C2C(CC4C3(C(=O)CCC4O)C)O)C)C5CC6(C(O6)(C(=O)O5)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy