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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003917

(2S,3R,10R,13R,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-2,6-dihydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-one

Formula: C33H50O11  |  Mol. Weight: 622.70 g/mol

IUPAC: (2S,3R,10R,13R,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-2,6-dihydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-one

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Overview

Molecular Formula C33H50O11
Molecular Weight 622.70 g/mol
Canonical SMILES CC(C)CCC(C(C)(C1CC=C2C1(CCC3=C2C(=O)C(=C4C3(CC(C(C4)OC5C(C(C(C(O5)CO)O)O)O)O)C)O)C)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy