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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP026042

[(1R,2S,3S,4S,5S,7R,9S,10R,14R)-2-acetyloxy-1-(acetyloxymethyl)-3,7-dihydroxy-5,9,12,12-tetramethyl-8,13-dioxo-4-tetracyclo[7.6.0.03,7.010,14]pentadecanyl] benzoate

Formula: C31H38O10  |  Mol. Weight: 570.60 g/mol

IUPAC: [(1R,2S,3S,4S,5S,7R,9S,10R,14R)-2-acetyloxy-1-(acetyloxymethyl)-3,7-dihydroxy-5,9,12,12-tetramethyl-8,13-dioxo-4-tetracyclo[7.6.0.03,7.010,14]pentadecanyl] benzoate

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Overview

Molecular Formula C31H38O10
Molecular Weight 570.60 g/mol
Canonical SMILES CC1CC2(C(=O)C3(C4CC(C(=O)C4CC3(C(C2(C1OC(=O)C5=CC=CC=C5)O)OC(=O)C)COC(=O)C)(C)C)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy