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4,5'-anhydro-3-(2',3'-o-isopropylidene-.beta.-D-ribofuranosyl)-6,6-dimethyl-4-hydroxyhexahydropyrimidine-2-thione
SpectraBase Compound ID CcwKfgB3EMF
InChI InChI=1S/C14H22N2O4S/c1-13(2)5-8-16(12(21)15-13)11-10-9(7(18-11)6-17-8)19-14(3,4)20-10/h7-11H,5-6H2,1-4H3,(H,15,21)/t7-,8?,9?,10?,11-/m1/s1
InChIKey COKYBYDJMHUPHV-PQOKKZGZSA-N
Mol Weight 314.4 g/mol
Molecular Formula C14H22N2O4S
Exact Mass 314.130028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ak5z8WTX9i1
Name 4,5'-anhydro-3-(2',3'-o-isopropylidene-.beta.-D-ribofuranosyl)-6,6-dimethyl-4-hydroxyhexahydropyrimidine-2-thione
Alternate Name(s) (1R,10R)-5,5,13,13-tetramethyl-8,12,14,16-tetraoxa-2,4-diazatetracyclo[8.5.1.0(2,7).0(11,15)]hexadecane-3-thione 4,5'-Anhydro-3-(2',3'-O-isopropylidene-.beta.-d-ribofuranosyl)-4-hydroxy-6,6-dimethylhexahydropyrimidine-2-thione
CAS Registry Number 111221-43-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22N2O4S
InChI InChI=1S/C14H22N2O4S/c1-13(2)5-8-16(12(21)15-13)11-10-9(7(18-11)6-17-8)19-14(3,4)20-10/h7-11H,5-6H2,1-4H3,(H,15,21)/t7-,8?,9?,10?,11-/m1/s1
InChIKey COKYBYDJMHUPHV-PQOKKZGZSA-N
Molecular Weight 314.400 g/mol
SMILES N1C(CC2OC[C@@]3(C4C([C@](N2C1=S)(O3)[H])OC(O4)(C)C)[H])(C)C
SPLASH splash10-052f-9712000000-95b7e455c420f79d5c71
Source of Spectrum HC-22-1340-0
Wiley ID 1314750