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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004775

(8R,9S,10R,13R,14S,17S)-14-hydroxy-10,13-dimethyl-17-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetyl]-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one

Formula: C27H40O9  |  Mol. Weight: 508.60 g/mol

IUPAC: (8R,9S,10R,13R,14S,17S)-14-hydroxy-10,13-dimethyl-17-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetyl]-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one

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Overview

Molecular Formula C27H40O9
Molecular Weight 508.60 g/mol
Canonical SMILES CC12CCC(=O)C=C1CCC3C2CCC4(C3(CCC4C(=O)COC5C(C(C(C(O5)CO)O)O)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy