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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP018961

4-hydroxy-4-[(E)-3-hydroxybut-1-enyl]-3,5-dimethyl-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-one

Formula: C19H30O9  |  Mol. Weight: 402.40 g/mol

IUPAC: 4-hydroxy-4-[(E)-3-hydroxybut-1-enyl]-3,5-dimethyl-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-one

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Overview

Molecular Formula C19H30O9
Molecular Weight 402.40 g/mol
Canonical SMILES CC1=CC(=O)CC(C1(C=CC(C)O)O)(C)COC2C(C(C(C(O2)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy