BIMP Logo
SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001861

(8S,9S,10R,13S,14S,17S)-17-hydroxy-17-[(1R)-1-[(1R,2R,4R,6S)-2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-4H-cyclopenta[a]phenanthren-1-one

Formula: C28H40O5  |  Mol. Weight: 456.60 g/mol

IUPAC: (8S,9S,10R,13S,14S,17S)-17-hydroxy-17-[(1R)-1-[(1R,2R,4R,6S)-2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-4H-cyclopenta[a]phenanthren-1-one

Overview

Molecular Formula C28H40O5
Molecular Weight 456.60 g/mol
Canonical SMILES CC(C1CC2(C(O2)(C(O1)O)C)C)C3(CCC4C3(CCC5C4CC=C6C5(C(=O)C=CC6)C)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy