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2-Pentenoic acid, 3-methyl-5-[octahydro-5',5',8'a-trimethyl-7'-[(methylthio)thioxomethoxy]spiro[1,3-dioxolane-2,2'(1'H)-naphthalen]-1'-yl]-, methyl ester, [1'S-[1'.alpha.(E),4'a.beta.,7'.beta.,8'a.alp ha.]]-
SpectraBase Compound ID 8pbPTJShb7a
InChI InChI=1S/C24H38O5S2/c1-16(13-20(25)26-5)7-8-19-23(4)15-17(29-21(30)31-6)14-22(2,3)18(23)9-10-24(19)27-11-12-28-24/h13,17-19H,7-12,14-15H2,1-6H3/b16-13+/t17-,18-,19+,23-/m1/s1
InChIKey KRSZNHOFYSBKNZ-RBHLRLNNSA-N
Mol Weight 470.7 g/mol
Molecular Formula C24H38O5S2
Exact Mass 470.216067 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1s7j4uSV4dV
Name 2-Pentenoic acid, 3-methyl-5-[octahydro-5',5',8'a-trimethyl-7'-[(methylthio)thioxomethoxy]spiro[1,3-dioxolane-2,2'(1'H)-naphthalen]-1'-yl]-, methyl ester, [1'S-[1'.alpha.(E),4'a.beta.,7'.beta.,8'a.alp ha.]]-
CAS Registry Number 126569-87-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H38O5S2
InChI InChI=1S/C24H38O5S2/c1-16(13-20(25)26-5)7-8-19-23(4)15-17(29-21(30)31-6)14-22(2,3)18(23)9-10-24(19)27-11-12-28-24/h13,17-19H,7-12,14-15H2,1-6H3/b16-13+/t17-,18-,19+,23-/m1/s1
InChIKey KRSZNHOFYSBKNZ-RBHLRLNNSA-N
Molecular Weight 470.683 g/mol
SMILES [C@]12([C@@](C(C)(C)C[C@](C2)(OC(=S)SC)[H])(CCC2([C@]1(CC\C(=C\C(=O)OC)C)[H])OCCO2)[H])C
SPLASH splash10-0002-9103000000-169c6e53e470421b2d48
Source of Spectrum B-42-576-35
Synonyms Spiro[1,3-dioxolane-2,2'(1'H)-naphthalene], 2-pentenoic acid deriv. 1-(4'-Methoxycarbonyl-3'-methyl-but-3'-enyl)-2,2-methylenedioxy-3-(methylsulfenylthioxomethoxy)-5,5,8a-trimethyl-perhydronaphthalene Methyl (2E)-5-[(1'S,4'aR,7'R,8'aR)-5',5',8'a-trimethyl-7'-{[(methylsulfanyl)methanethioyl]oxy}-octahydro-1'H-spiro[1,3-dioxolane-2,2'-naphthalene]-1'-yl]-3-methylpent-2-enoate
Wiley ID 1392789