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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP021178

3-[(3S,5R,8R,9S,10S,13S)-15-hydroxy-10,13-dimethyl-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

Formula: C29H42O9  |  Mol. Weight: 534.60 g/mol

IUPAC: 3-[(3S,5R,8R,9S,10S,13S)-15-hydroxy-10,13-dimethyl-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

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Overview

Molecular Formula C29H42O9
Molecular Weight 534.60 g/mol
Canonical SMILES CC12CCC(CC1CCC3C2CCC4(C3C(C=C4C5=CC(=O)OC5)O)C)OC6C(C(C(C(O6)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy