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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP026099

[(1R,2R,3R,3aS,5S,6E,9S,10S,11S,13R,13aS)-1,3a,9,10-tetraacetyloxy-11-benzoyloxy-2,3-dihydroxy-2,5,8,8-tetramethyl-12-methylidene-4-oxo-1,3,5,9,10,11,13,13a-octahydrocyclopenta[12]annulen-13-yl] benzoate

Formula: C42H48O15  |  Mol. Weight: 792.80 g/mol

IUPAC: [(1R,2R,3R,3aS,5S,6E,9S,10S,11S,13R,13aS)-1,3a,9,10-tetraacetyloxy-11-benzoyloxy-2,3-dihydroxy-2,5,8,8-tetramethyl-12-methylidene-4-oxo-1,3,5,9,10,11,13,13a-octahydrocyclopenta[12]annulen-13-yl] benzoate

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Overview

Molecular Formula C42H48O15
Molecular Weight 792.80 g/mol
Canonical SMILES CC1C=CC(C(C(C(C(=C)C(C2C(C(C(C2(C1=O)OC(=O)C)O)(C)O)OC(=O)C)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C)OC(=O)C)(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy