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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP034448

[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-methyl-3-[[(1S,2S)-2-methyl-5-oxocyclopentyl]methyl]-6-oxoheptan-2-yl]oxyoxan-3-yl] (E)-3-phenylprop-2-enoate

Formula: C30H42O9  |  Mol. Weight: 546.60 g/mol

IUPAC: [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-methyl-3-[[(1S,2S)-2-methyl-5-oxocyclopentyl]methyl]-6-oxoheptan-2-yl]oxyoxan-3-yl] (E)-3-phenylprop-2-enoate

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Overview

Molecular Formula C30H42O9
Molecular Weight 546.60 g/mol
Canonical SMILES CC1CCC(=O)C1CC(CCC(=O)C)C(C)(C)OC2C(C(C(C(O2)CO)O)O)OC(=O)C=CC3=CC=CC=C3

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy