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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP016280

[(1S,2S,3aR,5R,6E,10S,13S,13aS)-3a,10,13-triacetyloxy-13a-hydroxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-2,3,5,10,11,13-hexahydro-1H-cyclopenta[12]annulen-1-yl] benzoate

Formula: C33H40O11  |  Mol. Weight: 612.70 g/mol

IUPAC: [(1S,2S,3aR,5R,6E,10S,13S,13aS)-3a,10,13-triacetyloxy-13a-hydroxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-2,3,5,10,11,13-hexahydro-1H-cyclopenta[12]annulen-1-yl] benzoate

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Overview

Molecular Formula C33H40O11
Molecular Weight 612.70 g/mol
Canonical SMILES CC1CC2(C(=O)C(C=CC(C(=O)C(CC(=C)C(C2(C1OC(=O)C3=CC=CC=C3)O)OC(=O)C)OC(=O)C)(C)C)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy