BIMP Logo
SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP026051

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

Formula: C37H46O14  |  Mol. Weight: 714.80 g/mol

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

3D View Find Similar

Overview

Molecular Formula C37H46O14
Molecular Weight 714.80 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)OCC(=O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy