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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP013257

(3S,4S,10R,11R,18R,19R)-3-(3,5-dihydroxyphenyl)-4,10,18-tris(4-hydroxyphenyl)-5,9-dioxapentacyclo[9.8.1.02,6.08,20.012,17]icosa-1,6,8(20),12(17),13,15-hexaene-14,16,19-triol

Formula: C42H32O10  |  Mol. Weight: 696.70 g/mol

IUPAC: (3S,4S,10R,11R,18R,19R)-3-(3,5-dihydroxyphenyl)-4,10,18-tris(4-hydroxyphenyl)-5,9-dioxapentacyclo[9.8.1.02,6.08,20.012,17]icosa-1,6,8(20),12(17),13,15-hexaene-14,16,19-triol

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Overview

Molecular Formula C42H32O10
Molecular Weight 696.70 g/mol
Canonical SMILES C1=CC(=CC=C1C2C(C3=C4C(C(OC4=CC5=C3C(C(O5)C6=CC=C(C=C6)O)C7=C2C(=CC(=C7)O)O)C8=CC=C(C=C8)O)C9=CC(=CC(=C9)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy