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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001142

[(1S,2S,3R,5S,8R,9R,10R,11S,12S)-2,9,10-triacetyloxy-1-hydroxy-8,12,15,15-tetramethyl-4-methylidene-13-oxo-5-tricyclo[9.3.1.03,8]pentadecanyl] (E)-3-phenylprop-2-enoate

Formula: C35H44O10  |  Mol. Weight: 624.70 g/mol

IUPAC: [(1S,2S,3R,5S,8R,9R,10R,11S,12S)-2,9,10-triacetyloxy-1-hydroxy-8,12,15,15-tetramethyl-4-methylidene-13-oxo-5-tricyclo[9.3.1.03,8]pentadecanyl] (E)-3-phenylprop-2-enoate

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Overview

Molecular Formula C35H44O10
Molecular Weight 624.70 g/mol
Canonical SMILES CC1C2C(C(C3(CCC(C(=C)C3C(C(C2(C)C)(CC1=O)O)OC(=O)C)OC(=O)C=CC4=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