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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP026021

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

Formula: C35H44O12  |  Mol. Weight: 656.70 g/mol

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

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Overview

Molecular Formula C35H44O12
Molecular Weight 656.70 g/mol
Canonical SMILES CC1CC2(C(C1OC(=O)C3=CC=CC=C3)C(C4(CC5(C(C4(C2OC(=O)C)C)CC(C5=O)(C)C)OC(=O)C)COC(=O)C)OC(=O)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy