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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP019910

(1R,2R,3R,4R,11R,12R,19S,24S)-3-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-7,15-dihydroxy-2,11-bis(4-hydroxyphenyl)-10,18-dioxaheptacyclo[11.10.2.15,9.01,19.04,24.017,25.012,26]hexacosa-5(26),6,8,13(25),14,16,22-heptaen-21-one

Formula: C56H42O12  |  Mol. Weight: 906.90 g/mol

IUPAC: (1R,2R,3R,4R,11R,12R,19S,24S)-3-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-7,15-dihydroxy-2,11-bis(4-hydroxyphenyl)-10,18-dioxaheptacyclo[11.10.2.15,9.01,19.04,24.017,25.012,26]hexacosa-5(26),6,8,13(25),14,16,22-heptaen-21-one

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Overview

Molecular Formula C56H42O12
Molecular Weight 906.90 g/mol
Canonical SMILES C1C2C3(C=CC1=O)C(C(C4C3C5=C(C=C(C=C5O2)O)C6C(OC7=CC(=CC4=C67)O)C8=CC=C(C=C8)O)C9=C1C(C(OC1=CC(=C9)O)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)C1=CC=C(C=C1)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy