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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP011188

[(2R,4R,4bS,5R,6S,7S,10R,10aR)-6,7-diacetyloxy-4b-(acetyloxymethyl)-5-benzoyloxy-2-ethenyl-10,10a-dihydroxy-2,8,8-trimethyl-1-oxo-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-4-yl] benzoate

Formula: C40H46O13  |  Mol. Weight: 734.80 g/mol

IUPAC: [(2R,4R,4bS,5R,6S,7S,10R,10aR)-6,7-diacetyloxy-4b-(acetyloxymethyl)-5-benzoyloxy-2-ethenyl-10,10a-dihydroxy-2,8,8-trimethyl-1-oxo-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-4-yl] benzoate

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Overview

Molecular Formula C40H46O13
Molecular Weight 734.80 g/mol
Canonical SMILES CC(=O)OCC12C(CC(C3(C1C(CC(C3=O)(C)C=C)OC(=O)C4=CC=CC=C4)O)O)C(C(C(C2OC(=O)C5=CC=CC=C5)OC(=O)C)OC(=O)C)(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy