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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038897

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

Formula: C31H46O9  |  Mol. Weight: 562.70 g/mol

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

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Overview

Molecular Formula C31H46O9
Molecular Weight 562.70 g/mol
Canonical SMILES CCC(C)C(=O)OC1C2CCC(=C(C2(C)C)C(C(C3(C1C(=C)C(CC3OC(=O)C)O)C)OC(=O)C)OC(=O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy