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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP033317

(1R,5R,8R)-8-[(8S,9S,10R,12S,13S,14S,17R)-12-hydroxy-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-5-methyl-4-methylidene-2,6-dioxabicyclo[3.3.1]nonan-3-one

Formula: C28H36O5  |  Mol. Weight: 452.60 g/mol

IUPAC: (1R,5R,8R)-8-[(8S,9S,10R,12S,13S,14S,17R)-12-hydroxy-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-5-methyl-4-methylidene-2,6-dioxabicyclo[3.3.1]nonan-3-one

Overview

Molecular Formula C28H36O5
Molecular Weight 452.60 g/mol
Canonical SMILES CC12CC(C(CO1)C3CCC4C3(C(CC5C4CC=C6C5(C(=O)C=CC6)C)O)C)OC(=O)C2=C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy