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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP025736

[(1R,2R,5S,6S,7S,8S,9S,10R,13S,14S)-2,7-dihydroxy-9,13-dimethyl-8-(2-methylpropanoyloxy)-5-propan-2-yl-6-tetracyclo[7.5.0.02,6.010,14]tetradecanyl]methyl benzoate

Formula: C31H44O6  |  Mol. Weight: 512.70 g/mol

IUPAC: [(1R,2R,5S,6S,7S,8S,9S,10R,13S,14S)-2,7-dihydroxy-9,13-dimethyl-8-(2-methylpropanoyloxy)-5-propan-2-yl-6-tetracyclo[7.5.0.02,6.010,14]tetradecanyl]methyl benzoate

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Overview

Molecular Formula C31H44O6
Molecular Weight 512.70 g/mol
Canonical SMILES CC1CCC2C1C3C2(C(C(C4(C3(CCC4C(C)C)O)COC(=O)C5=CC=CC=C5)O)OC(=O)C(C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy