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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP026318

[(1S,2R,3aR,4R,5E,7R,11R,12E,13aS)-3a,4,11-triacetyloxy-7-hydroxy-2,5,8,8,12-pentamethyl-9-oxo-1,2,3,4,7,10,11,13a-octahydrocyclopenta[12]annulen-1-yl] benzoate

Formula: C33H42O10  |  Mol. Weight: 598.70 g/mol

IUPAC: [(1S,2R,3aR,4R,5E,7R,11R,12E,13aS)-3a,4,11-triacetyloxy-7-hydroxy-2,5,8,8,12-pentamethyl-9-oxo-1,2,3,4,7,10,11,13a-octahydrocyclopenta[12]annulen-1-yl] benzoate

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Overview

Molecular Formula C33H42O10
Molecular Weight 598.70 g/mol
Canonical SMILES CC1CC2(C(C1OC(=O)C3=CC=CC=C3)C=C(C(CC(=O)C(C(C=C(C2OC(=O)C)C)O)(C)C)OC(=O)C)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy