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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006744

[(2R,3S,6R)-3-[(5R,7R,8R,9R,10S,11R,13R,16R,17R)-7,11-dihydroxy-16-methoxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-6-hydroxy-7,7-dimethyl-5-oxooxepan-2-yl] acetate

Formula: C33H48O9  |  Mol. Weight: 588.70 g/mol

IUPAC: [(2R,3S,6R)-3-[(5R,7R,8R,9R,10S,11R,13R,16R,17R)-7,11-dihydroxy-16-methoxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-6-hydroxy-7,7-dimethyl-5-oxooxepan-2-yl] acetate

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Overview

Molecular Formula C33H48O9
Molecular Weight 588.70 g/mol
Canonical SMILES CC(=O)OC1C(CC(=O)C(C(O1)(C)C)O)C2C(C=C3C2(CC(C4C3(C(CC5C4(C=CC(=O)C5(C)C)C)O)C)O)C)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy