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.alpha.-D-xylo-Heptodialdo-1,4-furanose, 5,6-dideoxy-1,2-O-(1-methylethylidene)-, cyclic 1,3-propanediyl mercaptal, trifluoromethanesulfonate

View entire compound with spectra: 1 MS (GC)

.alpha.-D-xylo-Heptodialdo-1,4-furanose, 5,6-dideoxy-1,2-O-(1-methylethylidene)-, cyclic 1,3-propanediyl mercaptal, trifluoromethanesulfonate
SpectraBase Compound ID JciLv4WP29t
InChI InChI=1S/C14H21F3O6S3/c1-13(2)21-11-10(23-26(18,19)14(15,16)17)8(20-12(11)22-13)4-5-9-24-6-3-7-25-9/h8-12H,3-7H2,1-2H3/t8-,10+,11-,12-/m0/s1
InChIKey DVIKLNRZEGXJFR-IELRGYKMSA-N
Mol Weight 438.49 g/mol
Molecular Formula C14H21F3O6S3
Exact Mass 438.045236 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Jq1TVnoObB
Name .alpha.-D-xylo-Heptodialdo-1,4-furanose, 5,6-dideoxy-1,2-O-(1-methylethylidene)-, cyclic 1,3-propanediyl mercaptal, trifluoromethanesulfonate
Alternate Name(s) Furo[2,3-d]-1,3-dioxole, .alpha.-D-xylo-heptodialdo-1,4-furanose deriv. (3aS,5S,6R,6aS)-5-[2-(1,3-dithian-2-yl)ethyl]-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-6-yl trifluoromethanesulfonate 5,6-Dideoxy-6-c-(1',3'-dithian-2'-yl)-1,2-O-isopropylidene-3-O-trifluoromethylsulphonyl-.alpha.-D-xylo-hexofuranose
CAS Registry Number 86949-80-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H21F3O6S3
InChI InChI=1S/C14H21F3O6S3/c1-13(2)21-11-10(23-26(18,19)14(15,16)17)8(20-12(11)22-13)4-5-9-24-6-3-7-25-9/h8-12H,3-7H2,1-2H3/t8-,10+,11-,12-/m0/s1
InChIKey DVIKLNRZEGXJFR-IELRGYKMSA-N
Molecular Weight 438.491 g/mol
SMILES [C@@]1(OS(C(F)(F)F)(=O)=O)([C@]2([C@](OC(O2)(C)C)(O[C@]1(CCC1SCCCS1)[H])[H])[H])[H]
SPLASH splash10-00dr-0010900000-60e5380b308608d3c1d8
Source of Spectrum KC-1990-2868-7
Wiley ID 1383915