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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012968

(2R)-2-[(1R)-1-[(3R,8R,9S,10R,13R,17S)-10,13-dimethyl-1-oxo-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,7,8,9,11,12,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-1-hydroxyethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one

Formula: C34H48O11  |  Mol. Weight: 632.70 g/mol

IUPAC: (2R)-2-[(1R)-1-[(3R,8R,9S,10R,13R,17S)-10,13-dimethyl-1-oxo-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,7,8,9,11,12,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-1-hydroxyethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one

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Overview

Molecular Formula C34H48O11
Molecular Weight 632.70 g/mol
Canonical SMILES CC1=C(C(=O)OC(C1)C(C)(C2CC=C3C2(CCC4C3CC=C5C4(C(=O)CC(C5)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)CO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy