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1-(1-[1,3]Dithian-2-yl-2,3,4,5-tetrahydroxypentyl)-3.beta.-methoxy-4.beta.-styrylazetidin-2-one
SpectraBase Compound ID HDC5OxI68sF
InChI InChI=1S/C21H29NO6S2/c1-28-19-14(9-8-13-6-3-2-4-7-13)22(20(19)27)16(21-29-10-5-11-30-21)18(26)17(25)15(24)12-23/h2-4,6-9,14-19,21,23-26H,5,10-12H2,1H3/b9-8+/t14-,15-,16?,17-,18-,19+/m1/s1
InChIKey NDRNQTISWODRFA-KWCWEEBYSA-N
Mol Weight 455.58 g/mol
Molecular Formula C21H29NO6S2
Exact Mass 455.14363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CnsqwT4pgVy
Name 1-(1-[1,3]Dithian-2-yl-2,3,4,5-tetrahydroxypentyl)-3.beta.-methoxy-4.beta.-styrylazetidin-2-one
Alternate Name(s) (3S,4R)-1-((2R,3S,4R)-1-[1,3]Dithian-2-yl-2,3,4,5-tetrahydroxy-pentyl)-3-methoxy-4-((E)-styryl)-azetidin-2-one (3S,4R)-1-[1-(1,3-dithian-2-yl)-2,3,4,5-tetrahydroxypentyl]-3-methoxy-4-[(E)-2-phenylethenyl]azetidin-2-one
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Formula C21H29NO6S2
InChI InChI=1S/C21H29NO6S2/c1-28-19-14(9-8-13-6-3-2-4-7-13)22(20(19)27)16(21-29-10-5-11-30-21)18(26)17(25)15(24)12-23/h2-4,6-9,14-19,21,23-26H,5,10-12H2,1H3/b9-8+/t14-,15-,16?,17-,18-,19+/m1/s1
InChIKey NDRNQTISWODRFA-KWCWEEBYSA-N
Molecular Weight 455.584 g/mol
SMILES O[C@@]([C@]([C@@](C(N1C(=O)[C@]([C@]1(\C=C\c1ccccc1)[H])(OC)[H])C1SCCCS1)(O)[H])(O)[H])(CO)[H]
SPLASH splash10-03xu-2911100000-9986a732a2f73e3b46d1
Source of Spectrum QC-6-616-4
Wiley ID 868679