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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP035411

[(1S,2S,3aR,5R,6E,9S,10S,11S,13R,13aR)-1,3a,9,10,13-pentaacetyloxy-2,5,8,8-tetramethyl-12-methylidene-4-oxo-2,3,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-11-yl] benzoate

Formula: C37H46O13  |  Mol. Weight: 698.80 g/mol

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

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Overview

Molecular Formula C37H46O13
Molecular Weight 698.80 g/mol
Canonical SMILES CC1CC2(C(C1OC(=O)C)C(C(=C)C(C(C(C(C=CC(C2=O)C)(C)C)OC(=O)C)OC(=O)C)OC(=O)C3=CC=CC=C3)OC(=O)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy