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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP025601

3-[[(1R,3aR,4R,7R)-7-(2-hydroxypropan-2-yl)-1,4-dimethyl-3,3a,4,5,6,7-hexahydro-2H-azulen-1-yl]methyl]-2,4,6-trihydroxy-5-(3-methylbutanoyl)benzaldehyde

Formula: C28H40O6  |  Mol. Weight: 472.60 g/mol

IUPAC: 3-[[(1R,3aR,4R,7R)-7-(2-hydroxypropan-2-yl)-1,4-dimethyl-3,3a,4,5,6,7-hexahydro-2H-azulen-1-yl]methyl]-2,4,6-trihydroxy-5-(3-methylbutanoyl)benzaldehyde

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Overview

Molecular Formula C28H40O6
Molecular Weight 472.60 g/mol
Canonical SMILES CC1CCC(C=C2C1CCC2(C)CC3=C(C(=C(C(=C3O)C(=O)CC(C)C)O)C=O)O)C(C)(C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy