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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008032

[2-[(3S,8S,9R,10R,12R,13S,14R,17S)-12-benzoyloxy-3,8,14,17-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] benzoate

Formula: C35H40O9  |  Mol. Weight: 604.70 g/mol

IUPAC: [2-[(3S,8S,9R,10R,12R,13S,14R,17S)-12-benzoyloxy-3,8,14,17-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] benzoate

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Overview

Molecular Formula C35H40O9
Molecular Weight 604.70 g/mol
Canonical SMILES CC12CCC(CC1=CCC3(C2CC(C4(C3(CCC4(C(=O)COC(=O)C5=CC=CC=C5)O)O)C)OC(=O)C6=CC=CC=C6)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy