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Methyl ester of [1.alpha.,3a.beta.,4.beta.(E),7a.alpha.]-3-(octahydro-1-hydroxy-7a-methyl-6-oxo-1H-inden-4-yl)-2-propenoic acid
SpectraBase Compound ID 8A2LqGLGkXz
InChI InChI=1S/C14H20O4/c1-14-8-10(15)7-9(3-6-13(17)18-2)11(14)4-5-12(14)16/h3,6,9,11-12,16H,4-5,7-8H2,1-2H3/b6-3+/t9-,11+,12+,14+/m0/s1
InChIKey CTBLXWBNEPUGEY-GMMUPYNCSA-N
Mol Weight 252.31 g/mol
Molecular Formula C14H20O4
Exact Mass 252.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8exTmaHF9Ur
Name Methyl ester of [1.alpha.,3a.beta.,4.beta.(E),7a.alpha.]-3-(octahydro-1-hydroxy-7a-methyl-6-oxo-1H-inden-4-yl)-2-propenoic acid
CAS Registry Number 91202-66-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O4
InChI InChI=1S/C14H20O4/c1-14-8-10(15)7-9(3-6-13(17)18-2)11(14)4-5-12(14)16/h3,6,9,11-12,16H,4-5,7-8H2,1-2H3/b6-3+/t9-,11+,12+,14+/m0/s1
InChIKey CTBLXWBNEPUGEY-GMMUPYNCSA-N
Molecular Weight 252.310 g/mol
SMILES O[C@]1([C@]2([C@@]([C@@](\C=C\C(=O)OC)(CC(C2)=O)[H])(CC1)[H])C)[H]
SPLASH splash10-01q9-4910000000-4216bab8afa9d795f5eb
Source of Spectrum J-49-3281-0
Synonyms Methyl (2E)-3-[(1R,3aR,4R,7aR)-1-hydroxy-7a-methyl-6-oxooctahydro-1H-inden-4-yl]-2-propenoate
Wiley ID 1255557