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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP034616

[(2R,5S,7R,8S,9S,10S,11S,14R)-8-acetyloxy-5-ethenyl-7,9,14-trihydroxy-5,11-dimethyl-4-oxo-16-oxatetracyclo[7.5.2.01,10.02,7]hexadecan-11-yl]methyl benzoate

Formula: C29H36O9  |  Mol. Weight: 528.60 g/mol

IUPAC: [(2R,5S,7R,8S,9S,10S,11S,14R)-8-acetyloxy-5-ethenyl-7,9,14-trihydroxy-5,11-dimethyl-4-oxo-16-oxatetracyclo[7.5.2.01,10.02,7]hexadecan-11-yl]methyl benzoate

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Overview

Molecular Formula C29H36O9
Molecular Weight 528.60 g/mol
Canonical SMILES CC(=O)OC1C2(CC(C(=O)CC2C34COC1(C3C(CCC4O)(C)COC(=O)C5=CC=CC=C5)O)(C)C=C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy