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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP011131

(3S,3aS,7S,8S,8aS)-3-(2-hydroxypropan-2-yl)-8a-methyl-8-[(E)-2-(3-methylbut-2-enoyloxy)ethenyl]-6-oxo-7-(2-oxopropyl)-1,2,3,3a,7,8-hexahydroazulene-5-carboxylic acid

Formula: C25H34O7  |  Mol. Weight: 446.50 g/mol

IUPAC: (3S,3aS,7S,8S,8aS)-3-(2-hydroxypropan-2-yl)-8a-methyl-8-[(E)-2-(3-methylbut-2-enoyloxy)ethenyl]-6-oxo-7-(2-oxopropyl)-1,2,3,3a,7,8-hexahydroazulene-5-carboxylic acid

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Overview

Molecular Formula C25H34O7
Molecular Weight 446.50 g/mol
Canonical SMILES CC(=CC(=O)OC=CC1C(C(=O)C(=CC2C1(CCC2C(C)(C)O)C)C(=O)O)CC(=O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy