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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001251

[(1S,2S,3R,5S,7S,8S,9R,10R,13S)-2,9,10-triacetyloxy-1,5,13-trihydroxy-8,12,15,15-tetramethyl-4-methylidene-7-tricyclo[9.3.1.03,8]pentadec-11-enyl] benzoate

Formula: C33H42O11  |  Mol. Weight: 614.70 g/mol

IUPAC: [(1S,2S,3R,5S,7S,8S,9R,10R,13S)-2,9,10-triacetyloxy-1,5,13-trihydroxy-8,12,15,15-tetramethyl-4-methylidene-7-tricyclo[9.3.1.03,8]pentadec-11-enyl] benzoate

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Overview

Molecular Formula C33H42O11
Molecular Weight 614.70 g/mol
Canonical SMILES CC1=C2C(C(C3(C(CC(C(=C)C3C(C(C2(C)C)(CC1O)O)OC(=O)C)O)OC(=O)C4=CC=CC=C4)C)OC(=O)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy