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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006483

(2R,3R,4S,5S,6R)-2-[[(3S,7S,8S,9R,10R,13R,14S,17R)-3-hydroxy-9-(hydroxymethyl)-17-[(2R)-4-hydroxy-6-methylhept-5-en-2-yl]-4,4,13,14-tetramethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula: C36H60O9  |  Mol. Weight: 636.90 g/mol

IUPAC: (2R,3R,4S,5S,6R)-2-[[(3S,7S,8S,9R,10R,13R,14S,17R)-3-hydroxy-9-(hydroxymethyl)-17-[(2R)-4-hydroxy-6-methylhept-5-en-2-yl]-4,4,13,14-tetramethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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Overview

Molecular Formula C36H60O9
Molecular Weight 636.90 g/mol
Canonical SMILES CC(CC(C=C(C)C)O)C1CCC2(C1(CCC3(C2C(C=C4C3CCC(C4(C)C)O)OC5C(C(C(C(O5)CO)O)O)O)CO)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy