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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004961

3-[(3S,5S,8R,9S,10R,11R,13R,14S,17R)-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5,11,14-trihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

Formula: C28H42O10  |  Mol. Weight: 538.60 g/mol

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

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Overview

Molecular Formula C28H42O10
Molecular Weight 538.60 g/mol
Canonical SMILES CC12CCC(CC1(CCC3C2C(CC4(C3(CCC4C5=CC(=O)OC5)O)C)O)O)OC6C(C(C(O6)CO)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy