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2-Pentenoic acid, 5-(decahydro-5,5,8a-trimethyl-2-oxo-1-naphthalenyl)-3-methyl-, methyl ester, [1S-[1.alpha.(E),4a.beta.,8a.alpha.]]-
SpectraBase Compound ID BQmwnQI1fp6
InChI InChI=1S/C20H32O3/c1-14(13-18(22)23-5)7-8-15-16(21)9-10-17-19(2,3)11-6-12-20(15,17)4/h13,15,17H,6-12H2,1-5H3/b14-13+
InChIKey AKZXSCHIAUQMEB-BUHFOSPRSA-N
Mol Weight 320.5 g/mol
Molecular Formula C20H32O3
Exact Mass 320.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LGumfwpTbnz
Name 2-Pentenoic acid, 5-(decahydro-5,5,8a-trimethyl-2-oxo-1-naphthalenyl)-3-methyl-, methyl ester, [1S-[1.alpha.(E),4a.beta.,8a.alpha.]]-
CAS Registry Number 126569-81-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O3
InChI InChI=1S/C20H32O3/c1-14(13-18(22)23-5)7-8-15-16(21)9-10-17-19(2,3)11-6-12-20(15,17)4/h13,15,17H,6-12H2,1-5H3/b14-13+
InChIKey AKZXSCHIAUQMEB-BUHFOSPRSA-N
Molecular Weight 320.473 g/mol
SMILES C12(C(C(C)(C)CCC2)CCC(C1CC\C(=C\C(=O)OC)C)=O)C
SPLASH splash10-014i-0091000000-79421386141a6675cb6b
Source of Spectrum B-42-576-29
Synonyms 1-(4'-Methoxycarbonyl-3'-methylbut-3'-enyl)-5,5,8a-trimethyl-perhydronaphthalen-2-one Methyl (2E)-5-(5,5,8a-trimethyl-2-oxodecahydro-1-naphthalenyl)-3-methyl-2-pentenoate
Wiley ID 1320424