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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004662

[(1S,12S,13R,14S,15S)-15-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] (Z)-2-methylbut-2-enoate

Formula: C27H30O9  |  Mol. Weight: 498.50 g/mol

IUPAC: [(1S,12S,13R,14S,15S)-15-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] (Z)-2-methylbut-2-enoate

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Overview

Molecular Formula C27H30O9
Molecular Weight 498.50 g/mol
Canonical SMILES CC=C(C)C(=O)OC1C(C(C(C2=CC(=C(C(=O)C23COC4=C3C1=CC5=C4OCO5)OC)OC)O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy