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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004658

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

Formula: C39H64O14  |  Mol. Weight: 756.90 g/mol

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

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Overview

Molecular Formula C39H64O14
Molecular Weight 756.90 g/mol
Canonical SMILES CC(C)CC(=O)CC(C)C1C(CC2C1(CCC3C2C(C=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)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