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DIHYDROXYKETONE
SpectraBase Compound ID GE9ojCFabP1
InChI InChI=1S/C23H37NO3S/c1-15(2)22(26)18(5)23(27)16(3)11-9-7-8-10-12-21(25)17(4)13-20-14-28-19(6)24-20/h8,10,13-16,18,21,23,25,27H,7,9,11-12H2,1-6H3/b10-8-,17-13+/t16-,18-,21-,23-/m0/s1
InChIKey BUXAQZMQSTYYQK-HCCCJVGISA-N
Mol Weight 407.6 g/mol
Molecular Formula C23H37NO3S
Exact Mass 407.249415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6XaLsSpW0Wt
Name (4R,5S,6S,10Z,13S,14E)-2,4,6,14-tetramethyl-15-(2-methyl-1,3-thiazol-4-yl)-5,13-bis(oxidanyl)pentadeca-10,14-dien-3-one
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Formula C23H37NO3S
InChI InChI=1S/C23H37NO3S/c1-15(2)22(26)18(5)23(27)16(3)11-9-7-8-10-12-21(25)17(4)13-20-14-28-19(6)24-20/h8,10,13-16,18,21,23,25,27H,7,9,11-12H2,1-6H3/b10-8-,17-13+/t16-,18-,21-,23-/m0/s1
InChIKey BUXAQZMQSTYYQK-HCCCJVGISA-N
Molecular Weight 407.613 g/mol
SMILES O[C@@](C\C=C/CCC[C@@]([C@@]([C@](C(=O)C(C)C)(C)[H])(O)[H])(C)[H])(\C(=C\c1nc(sc1)C)C)[H]
SPLASH splash10-014i-0900000000-10b65476a3ea5a54c77a
Source of Spectrum G4-64-855-37
Synonyms (4R,5S,6S,10Z,13S,14E)-5,13-dihydroxy-2,4,6,14-tetramethyl-15-(2-methyl-1,3-thiazol-4-yl)pentadeca-10,14-dien-3-one (4R,5S,6S,10Z,13S,14E)-5,13-dihydroxy-2,4,6,14-tetramethyl-15-(2-methyl-4-thiazolyl)-3-pentadeca-10,14-dienone (4R,5S,6S,10Z,13S,14E)-5,13-dihydroxy-2,4,6,14-tetramethyl-15-(2-methylthiazol-4-yl)pentadeca-10,14-dien-3-one
Wiley ID 1609085