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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP022503

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

Formula: C38H42O12  |  Mol. Weight: 690.70 g/mol

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

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Overview

Molecular Formula C38H42O12
Molecular Weight 690.70 g/mol
Canonical SMILES CC1C=CC(C(=O)C(C(C(=C)C(C2C(C(CC2(C1=O)OC(=O)C)(C)O)OC(=O)C)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)O)(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy