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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038168

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

Formula: C39H46O11  |  Mol. Weight: 690.80 g/mol

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

Overview

Molecular Formula C39H46O11
Molecular Weight 690.80 g/mol
Canonical SMILES CC(=O)OC1CC2C3(C(CC(C(C3C(C(C2(C4=CCC(C14C)C5=COC=C5)C)OC(=O)C6=CC=CC=C6)OC(=O)C)(C)C=O)OC(=O)C)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy