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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP034442

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

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Overview

Molecular Formula C28H36O5
Molecular Weight 452.60 g/mol
Canonical SMILES CC12CC=C3C(C1CCC2C4COC5(CC4OC(=O)C5=C)C)CCC6(C3(C(=O)C=CC6)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy