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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031286

(1R,13R,14S,21S)-3,14,21-trihydroxy-8,17-bis[2-(4-methoxyphenyl)ethyl]-9,12,16-trioxapentacyclo[11.7.1.02,11.05,10.015,20]henicosa-2,4,7,10,15(20),17-hexaene-6,19-dione

Formula: C36H32O10  |  Mol. Weight: 624.60 g/mol

IUPAC: (1R,13R,14S,21S)-3,14,21-trihydroxy-8,17-bis[2-(4-methoxyphenyl)ethyl]-9,12,16-trioxapentacyclo[11.7.1.02,11.05,10.015,20]henicosa-2,4,7,10,15(20),17-hexaene-6,19-dione

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Overview

Molecular Formula C36H32O10
Molecular Weight 624.60 g/mol
Canonical SMILES COC1=CC=C(C=C1)CCC2=CC(=O)C3=C(O2)C(C4C(C3C5=C(C=C6C(=O)C=C(OC6=C5O4)CCC7=CC=C(C=C7)OC)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy