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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007154

[(1S,3R,4S,5R,6R,7S,8R,9R,10R,12S,13S,17S)-3-acetyloxy-4-formyl-17-(furan-3-yl)-1,6,7-trihydroxy-4,8,10,13-tetramethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl] acetate

Formula: C30H40O9  |  Mol. Weight: 544.60 g/mol

IUPAC: [(1S,3R,4S,5R,6R,7S,8R,9R,10R,12S,13S,17S)-3-acetyloxy-4-formyl-17-(furan-3-yl)-1,6,7-trihydroxy-4,8,10,13-tetramethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl] acetate

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Overview

Molecular Formula C30H40O9
Molecular Weight 544.60 g/mol
Canonical SMILES CC(=O)OC1CC2C3(C(CC(C(C3C(C(C2(C4=CCC(C14C)C5=COC=C5)C)O)O)(C)C=O)OC(=O)C)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy