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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008031

(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-[(3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-17-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,12,14,16-decahydrocyclopenta[a]phenanthrene-11,15-dione

Formula: C28H40O9  |  Mol. Weight: 520.60 g/mol

IUPAC: (3S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-[(3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-17-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,12,14,16-decahydrocyclopenta[a]phenanthrene-11,15-dione

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Overview

Molecular Formula C28H40O9
Molecular Weight 520.60 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2CCC3(C4C(CC=C3C2)C5C(=O)CC(C5(CC4=O)C)(C(=O)C)O)C)O)OC)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy