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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031547

[(1S,12R,13S,14R)-14-hydroxy-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,18-pentaen-12-yl] benzoate

Formula: C29H28O9  |  Mol. Weight: 520.50 g/mol

IUPAC: [(1S,12R,13S,14R)-14-hydroxy-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,18-pentaen-12-yl] benzoate

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Overview

Molecular Formula C29H28O9
Molecular Weight 520.50 g/mol
Canonical SMILES CC1C(C2=CC3=C(C4=C2C5(CO4)C(=CC(=C(C5=O)OC)OC)CC1(C)O)OCO3)OC(=O)C6=CC=CC=C6

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy