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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002176

(1S,2R,4S,10R,11R,18S)-4-(3,5-dihydroxyphenyl)-2,10,18-tris(4-hydroxyphenyl)-1,10,11,18-tetramethyl-9-oxahexacyclo[9.7.2.02,4.05,19.08,20.012,17]icosa-5(19),6,8(20),12(17),13,15-hexaene-6,14,16-triol

Formula: C47H40O9  |  Mol. Weight: 748.80 g/mol

IUPAC: (1S,2R,4S,10R,11R,18S)-4-(3,5-dihydroxyphenyl)-2,10,18-tris(4-hydroxyphenyl)-1,10,11,18-tetramethyl-9-oxahexacyclo[9.7.2.02,4.05,19.08,20.012,17]icosa-5(19),6,8(20),12(17),13,15-hexaene-6,14,16-triol

Overview

Molecular Formula C47H40O9
Molecular Weight 748.80 g/mol
Canonical SMILES CC1(C2=C(C=C(C=C2O)O)C3(C4=C(C=C(C5=C4C1(C6(C5(C6)C7=CC(=CC(=C7)O)O)C8=CC=C(C=C8)O)C)O)OC3(C)C9=CC=C(C=C9)O)C)C1=CC=C(C=C1)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy