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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP033788

[(1S,4aS,6S,7R,7aS)-6,7-dihydroxy-4-(hydroxymethyl)-7-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] (3S)-3-methylpentanoate

Formula: C25H32O9  |  Mol. Weight: 476.50 g/mol

IUPAC: [(1S,4aS,6S,7R,7aS)-6,7-dihydroxy-4-(hydroxymethyl)-7-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] (3S)-3-methylpentanoate

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Overview

Molecular Formula C25H32O9
Molecular Weight 476.50 g/mol
Canonical SMILES CCC(C)CC(=O)OC1C2C(CC(C2(COC(=O)C=CC3=CC=C(C=C3)O)O)O)C(=CO1)CO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy