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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004972

2-Pentenoic acid, 3-methyl-, octahydro-1-(1-hydroxyethyl)-4-methylene-7-(1-methylethyl)-2-oxo-1H-inden-5-yl ester, [1S-[1I+/-(S*),3aI(2),5I(2)(E),7I+/-,7aI+/-]]-

Formula: C21H32O4  |  Mol. Weight: 348.50 g/mol

IUPAC: [(1S,3aR,5R,7S,7aS)-1-[(1R)-1-hydroxyethyl]-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydro-1H-inden-5-yl] (E)-3-methylpent-2-enoate

Overview

Molecular Formula C21H32O4
Molecular Weight 348.50 g/mol
Canonical SMILES CCC(=CC(=O)OC1CC(C2C(C1=C)CC(=O)C2C(C)O)C(C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy