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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP029742

[(3S,5S,8S,9R,10S,12R,13R,14R,17S)-3,8,14,17-tetrahydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthren-12-yl] benzoate

Formula: C28H40O7  |  Mol. Weight: 488.60 g/mol

IUPAC: [(3S,5S,8S,9R,10S,12R,13R,14R,17S)-3,8,14,17-tetrahydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthren-12-yl] benzoate

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Overview

Molecular Formula C28H40O7
Molecular Weight 488.60 g/mol
Canonical SMILES CC(C1(CCC2(C1(C(CC3C2(CCC4C3(CCC(C4)O)C)O)OC(=O)C5=CC=CC=C5)C)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy