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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002041

(10S,11S,18S)-18-(2,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-4,10-bis(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-diol

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

IUPAC: (10S,11S,18S)-18-(2,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-4,10-bis(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-diol

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Overview

Molecular Formula C42H32O10
Molecular Weight 696.70 g/mol
Canonical SMILES C1C(C2=C(C=C(C=C2O)O)C3C(OC4=C3C1=C5C(C(OC5=C4)C6=CC=C(C=C6)O)C7=CC(=CC(=C7)O)O)C8=CC=C(C=C8)O)C9=C(C=C(C=C9)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy