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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012707

(2R,3R,4S,5S,6R)-2-[(Z,5R,6S)-6-[(1S,3R,8S,9S,10R,13S,14S,17R)-1,3-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-2,3-dimethylhept-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula: C34H56O9  |  Mol. Weight: 608.80 g/mol

IUPAC: (2R,3R,4S,5S,6R)-2-[(Z,5R,6S)-6-[(1S,3R,8S,9S,10R,13S,14S,17R)-1,3-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-2,3-dimethylhept-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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Overview

Molecular Formula C34H56O9
Molecular Weight 608.80 g/mol
Canonical SMILES CC(C1CCC2C1(CCC3C2CC=C4C3(C(CC(C4)O)O)C)C)C(CC(=C(C)COC5C(C(C(C(O5)CO)O)O)O)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy