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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004973

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

Formula: C22H32O5  |  Mol. Weight: 376.50 g/mol

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

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Overview

Molecular Formula C22H32O5
Molecular Weight 376.50 g/mol
Canonical SMILES CC=C(C)C(=O)OC1CC(C2C(C1=C)CC(=O)C2C(C)OC(=O)C)C(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy