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(E,5R,7R)-8-(1,3-dithian-2-yl)-5,7-dihydroxy-6,6-dimethyl-2-octenoic acid methyl ester
SpectraBase Compound ID HkZyVQ6eSLV
InChI InChI=1S/C15H26O4S2/c1-15(2,11(16)6-4-7-13(18)19-3)12(17)10-14-20-8-5-9-21-14/h4,7,11-12,14,16-17H,5-6,8-10H2,1-3H3/b7-4+/t11-,12-/m1/s1
InChIKey MQSIFPJMPIVSFS-KSOFABFVSA-N
Mol Weight 334.49 g/mol
Molecular Formula C15H26O4S2
Exact Mass 334.127252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BikwqSxQGRs
Name (E,5R,7R)-8-(1,3-dithian-2-yl)-5,7-dihydroxy-6,6-dimethyl-2-octenoic acid methyl ester
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Formula C15H26O4S2
InChI InChI=1S/C15H26O4S2/c1-15(2,11(16)6-4-7-13(18)19-3)12(17)10-14-20-8-5-9-21-14/h4,7,11-12,14,16-17H,5-6,8-10H2,1-3H3/b7-4+/t11-,12-/m1/s1
InChIKey MQSIFPJMPIVSFS-KSOFABFVSA-N
Molecular Weight 334.489 g/mol
SMILES O[C@@](C([C@](O)(C\C=C\C(=O)OC)[H])(C)C)(CC1SCCCS1)[H]
SPLASH splash10-014j-3911000000-864cd0c0bfc910299b1c
Source of Spectrum K1-2002-1543-17
Synonyms (E,5R,7R)-8-(1,3-dithian-2-yl)-5,7-dihydroxy-6,6-dimethyl-oct-2-enoic acid methyl ester Methyl (E,5R,7R)-8-(1,3-dithian-2-yl)-5,7-dihydroxy-6,6-dimethyl-oct-2-enoate Methyl (E,5R,7R)-8-(1,3-dithian-2-yl)-6,6-dimethyl-5,7-bis(oxidanyl)oct-2-enoate
Wiley ID 872242