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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP037370

1-O-Formylrocagloic acid

Formula: C28H26O9  |  Mol. Weight: 506.50 g/mol

IUPAC: (1R,2R,3S,3aR,8bS)-1-formyloxy-8b-hydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylic acid

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Overview

Molecular Formula C28H26O9
Molecular Weight 506.50 g/mol
Canonical SMILES COC1=CC=C(C=C1)C23C(C(C(C2(C4=C(O3)C=C(C=C4OC)OC)O)OC=O)C(=O)O)C5=CC=CC=C5

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy