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H8exH8QpOb6
spectrumID
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H8exH8QpOb6
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Mass Spectrum (GC)
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.alpha.-D-Gluco-heptodialdo-1,4-furanose, 6-deoxy-3-o-(1-methoxy-1-methylethyl)-1,2-o-(1-methylethylidene)-, cyclic 1,3-propanediyl mercaptal
SpectraBase Compound ID 2IVpxyeczKJ
InChI InChI=1S/C17H30O6S2/c1-16(2,19-5)21-13-12(10(18)9-11-24-7-6-8-25-11)20-15-14(13)22-17(3,4)23-15/h10-15,18H,6-9H2,1-5H3/t10-,12-,13+,14-,15-/m1/s1
InChIKey FBKZYHBJUYKYTP-TVKJYDDYSA-N
Mol Weight 394.54 g/mol
Molecular Formula C17H30O6S2
Exact Mass 394.148381 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H8exH8QpOb6
Name .alpha.-D-gluco-Heptodialdo-1,4-furanose, 6-deoxy-3-O-(1-methoxy-1-methylethyl)-1,2-O-(1-methylethylidene)-, cyclic 1,3-propanediyl mercaptal
CAS Registry Number 86949-77-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H30O6S2
InChI InChI=1S/C17H30O6S2/c1-16(2,19-5)21-13-12(10(18)9-11-24-7-6-8-25-11)20-15-14(13)22-17(3,4)23-15/h10-15,18H,6-9H2,1-5H3/t10-,12-,13+,14-,15-/m1/s1
InChIKey FBKZYHBJUYKYTP-TVKJYDDYSA-N
Molecular Weight 394.541 g/mol
SMILES O[C@@]([C@@]1([C@@]([C@@]2([C@](O1)(OC(O2)(C)C)[H])[H])(OC(OC)(C)C)[H])[H])(CC1SCCCS1)[H]
SPLASH splash10-01f3-0809000000-f7c3fdfe376eb640b20d
Source of Spectrum KC-1990-2868-4
Synonyms Furo[2,3-d]-1,3-dioxole, .alpha.-D-gluco-heptodialdo-1,4-furanose deriv. (1R)-1-[(3aR,5R,6S,6aR)-6-[(2-methoxypropan-2-yl)oxy]-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-5-yl]-2-(1,3-dithian-2-yl)ethan-1-ol 6-Deoxy-6-c-(1',3'-dithian-2'-yl)-1,2-O-isopropylidene-3-O-(1-methoxy-1-methyl ethyl)-.alpha.-D-glucofuranose
Wiley ID 1366488
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