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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012567

[(1S,5R,6R,13R,21S)-6,9,17,19-tetrahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaen-21-yl] 4-hydroxybenzoate

Formula: C37H28O12  |  Mol. Weight: 664.60 g/mol

IUPAC: [(1S,5R,6R,13R,21S)-6,9,17,19-tetrahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaen-21-yl] 4-hydroxybenzoate

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Overview

Molecular Formula C37H28O12
Molecular Weight 664.60 g/mol
Canonical SMILES C1C(C(OC2=C1C(=CC3=C2C4C(C(O3)(OC5=CC(=CC(=C45)O)O)C6=CC=C(C=C6)O)OC(=O)C7=CC=C(C=C7)O)O)C8=CC=C(C=C8)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy