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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001298

[(2S,4R,4aS,4bR,7R,8aR,9R,10aS)-4-benzoyloxy-7-ethenyl-8a,9-dihydroxy-1,1,4a,7-tetramethyl-3,5,8-trioxo-4,4b,6,9,10,10a-hexahydro-2H-phenanthren-2-yl] benzoate

Formula: C34H36O9  |  Mol. Weight: 588.60 g/mol

IUPAC: [(2S,4R,4aS,4bR,7R,8aR,9R,10aS)-4-benzoyloxy-7-ethenyl-8a,9-dihydroxy-1,1,4a,7-tetramethyl-3,5,8-trioxo-4,4b,6,9,10,10a-hexahydro-2H-phenanthren-2-yl] benzoate

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Overview

Molecular Formula C34H36O9
Molecular Weight 588.60 g/mol
Canonical SMILES CC1(C2CC(C3(C(C2(C(C(=O)C1OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)C)C(=O)CC(C3=O)(C)C=C)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy