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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006295

[(1S,2S,3aR,4S,5S,6Z,9R,11R,12Z,13aS)-4,9-diacetyloxy-3a,11-dihydroxy-2,5,8,8,12-pentamethyl-2,3,4,5,9,10,11,13a-octahydro-1H-cyclopenta[12]annulen-1-yl] benzoate

Formula: C31H42O8  |  Mol. Weight: 542.70 g/mol

IUPAC: [(1S,2S,3aR,4S,5S,6Z,9R,11R,12Z,13aS)-4,9-diacetyloxy-3a,11-dihydroxy-2,5,8,8,12-pentamethyl-2,3,4,5,9,10,11,13a-octahydro-1H-cyclopenta[12]annulen-1-yl] benzoate

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Overview

Molecular Formula C31H42O8
Molecular Weight 542.70 g/mol
Canonical SMILES CC1CC2(C(C1OC(=O)C3=CC=CC=C3)C=C(C(CC(C(C=CC(C2OC(=O)C)C)(C)C)OC(=O)C)O)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy