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(2S)-2-[(2S,4S,4aS)-4-hydroxy-4a,8-dimethyl-2-spiro[1,2,3,4,5,6-hexahydronaphthalene-7,2'-1,3-dithiolane]yl]propanoic acid methyl ester

View entire compound with spectra: 1 MS (GC)

(2S)-2-[(2S,4S,4aS)-4-hydroxy-4a,8-dimethyl-2-spiro[1,2,3,4,5,6-hexahydronaphthalene-7,2'-1,3-dithiolane]yl]propanoic acid methyl ester
SpectraBase Compound ID 8GY3aa1R9vw
InChI InChI=1S/C18H28O3S2/c1-11(16(20)21-4)13-9-14-12(2)18(22-7-8-23-18)6-5-17(14,3)15(19)10-13/h11,13,15,19H,5-10H2,1-4H3/t11-,13-,15-,17-/m0/s1
InChIKey RMTUQWYHXXUUTH-ONQXIZJVSA-N
Mol Weight 356.54 g/mol
Molecular Formula C18H28O3S2
Exact Mass 356.147987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1VihdqNEeaD
Name (2S)-2-[(2S,4S,4aS)-4-hydroxy-4a,8-dimethyl-2-spiro[1,2,3,4,5,6-hexahydronaphthalene-7,2'-1,3-dithiolane]yl]propanoic acid methyl ester
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Formula C18H28O3S2
InChI InChI=1S/C18H28O3S2/c1-11(16(20)21-4)13-9-14-12(2)18(22-7-8-23-18)6-5-17(14,3)15(19)10-13/h11,13,15,19H,5-10H2,1-4H3/t11-,13-,15-,17-/m0/s1
InChIKey RMTUQWYHXXUUTH-ONQXIZJVSA-N
Molecular Weight 356.539 g/mol
SMILES O[C@@]1([C@@]2(C(=C(C3(SCCS3)CC2)C)C[C@@](C1)([C@@](C(=O)OC)(C)[H])[H])C)[H]
SPLASH splash10-0btj-0459000000-29646c18b09028080d28
Source of Spectrum F-51-5615-12
Synonyms (2S)-2-[(2S,4S,4aS)-4-hydroxy-4a,8-dimethyl-spiro[1,2,3,4,5,6-hexahydronaphthalene-7,2'-1,3-dithiolane]-2-yl]propionic acid methyl ester Methyl (2S)-2-[(2S,4S,4aS)-4-hydroxy-4a,8-dimethyl-spiro[1,2,3,4,5,6-hexahydronaphthalene-7,2'-1,3-dithiolane]-2-yl]propanoate Methyl (2S)-2-[(2S,4S,4aS)-4a,8-dimethyl-4-oxidanyl-spiro[1,2,3,4,5,6-hexahydronaphthalene-7,2'-1,3-dithiolane]-2-yl]propanoate
Wiley ID 791857