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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP020210

[(2R,3S,6R)-3-[(5R,8R,9R,10S,11R,13S,17S)-11,16-dihydroxy-4,4,8,10,13-pentamethyl-3,7-dioxo-6,9,11,12,16,17-hexahydro-5H-cyclopenta[a]phenanthren-17-yl]-6-(2-hydroxypropan-2-yl)-5-oxooxan-2-yl] acetate

Formula: C32H44O9  |  Mol. Weight: 572.70 g/mol

IUPAC: [(2R,3S,6R)-3-[(5R,8R,9R,10S,11R,13S,17S)-11,16-dihydroxy-4,4,8,10,13-pentamethyl-3,7-dioxo-6,9,11,12,16,17-hexahydro-5H-cyclopenta[a]phenanthren-17-yl]-6-(2-hydroxypropan-2-yl)-5-oxooxan-2-yl] acetate

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Overview

Molecular Formula C32H44O9
Molecular Weight 572.70 g/mol
Canonical SMILES CC(=O)OC1C(CC(=O)C(O1)C(C)(C)O)C2C(C=C3C2(CC(C4C3(C(=O)CC5C4(C=CC(=O)C5(C)C)C)C)O)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy