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(6S)-Methyl 5,6-Anhydro-2,3-O-isopropylidene-6-C-nitro-6-[(4'-methylphenyl)thio]-6-C-[(4'-methylphenyl)thio]-.beta.,D-allofuranoside
SpectraBase Compound ID 3ksEYfuli8h
InChI InChI=1S/C17H21NO7S/c1-9-5-7-10(8-6-9)26-17(18(19)20)14(25-17)12-11-13(15(21-4)22-12)24-16(2,3)23-11/h5-8,11-15H,1-4H3/t11-,12?,13?,14?,15?,17?/m1/s1
InChIKey YDRPQDCAVLKVCZ-VQGSXZNQSA-N
Mol Weight 383.42 g/mol
Molecular Formula C17H21NO7S
Exact Mass 383.103873 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 13ijJLwk8Dn
Name (6S)-Methyl 5,6-Anhydro-2,3-O-isopropylidene-6-C-nitro-6-[(4'-methylphenyl)thio]-6-C-[(4'-methylphenyl)thio]-.beta.,D-allofuranoside
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Formula C17H21NO7S
InChI InChI=1S/C17H21NO7S/c1-9-5-7-10(8-6-9)26-17(18(19)20)14(25-17)12-11-13(15(21-4)22-12)24-16(2,3)23-11/h5-8,11-15H,1-4H3/t11-,12?,13?,14?,15?,17?/m1/s1
InChIKey YDRPQDCAVLKVCZ-VQGSXZNQSA-N
Molecular Weight 383.415 g/mol
SMILES C1(C(C2[C@@]3(C(OC(O3)(C)C)C(O2)OC)[H])O1)(N(=O)=O)Sc1ccc(cc1)C
SPLASH splash10-03dl-9002000000-dec73b88ded878f86517
Source of Spectrum J-60-6439-40
Synonyms 3-[(3aR)-6-methoxy-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]-2-[(4-methylphenyl)sulfanyl]-2-nitrooxirane
Wiley ID 1360993