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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP019076

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

Formula: C36H62O9  |  Mol. Weight: 638.90 g/mol

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

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Overview

Molecular Formula C36H62O9
Molecular Weight 638.90 g/mol
Canonical SMILES CC(=CCCC(C)(C)O)C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)O)O)O)C)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy