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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP014804

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

Formula: C35H46O11  |  Mol. Weight: 642.70 g/mol

IUPAC: [(1S,2R,3aR,4S,5S,6E,9S,10S,11S,12E,13aS)-3a,4,9,10-tetraacetyloxy-11-hydroxy-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 C35H46O11
Molecular Weight 642.70 g/mol
Canonical SMILES CC1CC2(C(C1OC(=O)C3=CC=CC=C3)C=C(C(C(C(C(C=CC(C2OC(=O)C)C)(C)C)OC(=O)C)OC(=O)C)O)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy