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2-Pentenoic acid, 3-methyl-5-[octahydro-5',5',8'a-trimethyl-3',7'-bis[(methylthio)thioxomethoxy]spiro[1,3-dioxolane-2,2'(1'H)-naphthalen]-1'-yl]-, methyl ester, [1'S-[1'.alpha.(E),3'.beta.,4'a.beta.,7'.beta.,8'a.alpha.]]-
SpectraBase Compound ID 3yVttMUlmNU
InChI InChI=1S/C26H40O6S4/c1-16(12-21(27)28-5)8-9-18-25(4)15-17(31-22(33)35-6)14-24(2,3)19(25)13-20(32-23(34)36-7)26(18)29-10-11-30-26/h12,17-20H,8-11,13-15H2,1-7H3/b16-12+/t17-,18+,19-,20+,25+/m1/s1
InChIKey JCKCLXHZNIXSMR-HVMCGWGESA-N
Mol Weight 576.8 g/mol
Molecular Formula C26H40O6S4
Exact Mass 576.170774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FFKjJYSKurS
Name 2-Pentenoic acid, 3-methyl-5-[octahydro-5',5',8'a-trimethyl-3',7'-bis[(methylthio)thioxomethoxy]spiro[1,3-dioxolane-2,2'(1'H)-naphthalen]-1'-yl]-, methyl ester, [1'S-[1'.alpha.(E),3'.beta.,4'a.beta.,7'.beta.,8'a.alpha.]]-
CAS Registry Number 126569-89-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H40O6S4
InChI InChI=1S/C26H40O6S4/c1-16(12-21(27)28-5)8-9-18-25(4)15-17(31-22(33)35-6)14-24(2,3)19(25)13-20(32-23(34)36-7)26(18)29-10-11-30-26/h12,17-20H,8-11,13-15H2,1-7H3/b16-12+/t17-,18+,19-,20+,25+/m1/s1
InChIKey JCKCLXHZNIXSMR-HVMCGWGESA-N
Molecular Weight 576.840 g/mol
SMILES [C@@]12([C@@](C3(OCCO3)[C@](C[C@@]1(C(C)(C)C[C@](C2)(OC(=S)SC)[H])[H])(OC(=S)SC)[H])(CC\C(=C\C(=O)OC)C)[H])C
SPLASH splash10-01p2-9504400000-002c5287cbdc21f82571
Source of Spectrum B-42-577-37
Synonyms Spiro[1,3-dioxolane-2,2'(1'H)-naphthalene], 2-pentenoic acid deriv. 1-(1'-Methoxycarbonyl-2'-methylbut-1'-enyl)-2-(1',3'-dioxolan-2'-yl)-3,7-bis[(methyldithioformyl)oxy]-5,5,9a-trimethylperhydronaphthalene 1-(4'-Methoxycarbonyl-3'-methylbut-3'-enyl)-2,2-methylenedioxy-3,7-bis(methylsulfenylthioxomethoxy)-5,5,9a-trimethylperhydronaphthalene Methyl (2E)-5-[(1'S,3'S,4'aR,7'R,8'aR)-5',5',8'a-trimethyl-3',7'-di{[(methylsulfanyl)methanethioyl]oxy}-octahydro-1'H-spiro[1,3-dioxolane-2,2'-naphthalene]-1'-yl]-3-methylpent-2-enoate
Wiley ID 1408164