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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006292

[(1S,2R,3aR,4R,5R,6Z,12Z,13aS)-3a,4-diacetyloxy-2,5,8,8,12-pentamethyl-9,11-dioxo-1,2,3,4,5,13a-hexahydrocyclopenta[12]annulen-1-yl] benzoate

Formula: C31H38O8  |  Mol. Weight: 538.60 g/mol

IUPAC: [(1S,2R,3aR,4R,5R,6Z,12Z,13aS)-3a,4-diacetyloxy-2,5,8,8,12-pentamethyl-9,11-dioxo-1,2,3,4,5,13a-hexahydrocyclopenta[12]annulen-1-yl] benzoate

Overview

Molecular Formula C31H38O8
Molecular Weight 538.60 g/mol
Canonical SMILES CC1CC2(C(C1OC(=O)C3=CC=CC=C3)C=C(C(=O)CC(=O)C(C=CC(C2OC(=O)C)C)(C)C)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy