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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012914

Isoyatein

Formula: C22H24O7  |  Mol. Weight: 400.40 g/mol

IUPAC: (3R,4R)-3-(1,3-benzodioxol-5-ylmethyl)-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one

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Overview

Molecular Formula C22H24O7
Molecular Weight 400.40 g/mol
Canonical SMILES COC1=CC(=CC(=C1OC)OC)CC2COC(=O)C2CC3=CC4=C(C=C3)OCO4

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy