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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006299

(3R,4R)-3-[4-hydroxy-3-[2-hydroxy-5-[(1S,2R,3R)-7-hydroxy-2,3-bis(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-3-methoxyphenyl]-5-methoxyphenyl]-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-ol

Formula: C39H44O13  |  Mol. Weight: 720.80 g/mol

IUPAC: (3R,4R)-3-[4-hydroxy-3-[2-hydroxy-5-[(1S,2R,3R)-7-hydroxy-2,3-bis(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-3-methoxyphenyl]-5-methoxyphenyl]-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-ol

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Overview

Molecular Formula C39H44O13
Molecular Weight 720.80 g/mol
Canonical SMILES COC1=CC(=CC(=C1O)C2=C(C(=CC(=C2)C3(COC(C3CO)C4=CC(=C(C=C4)O)OC)O)OC)O)C5C(C(CC6=CC(=C(C=C56)O)OC)CO)CO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy