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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012549

(1S,4aS,6S,7R,7aS)-1-[(2S,3R,4S,5S,6R)-3-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid

Formula: C27H34O13  |  Mol. Weight: 566.50 g/mol

IUPAC: (1S,4aS,6S,7R,7aS)-1-[(2S,3R,4S,5S,6R)-3-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid

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Overview

Molecular Formula C27H34O13
Molecular Weight 566.50 g/mol
Canonical SMILES CC1C(CC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)OC(=O)C=CC4=CC(=C(C=C4)OC)OC)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy