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1,2-O-isopropylidene-6-O-tosyl-3-O-acetyl-.beta.-D-arabino-hexofuranos-5-ulose
SpectraBase Compound ID 2pINHqypjf4
InChI InChI=1S/C18H22O9S/c1-10-5-7-12(8-6-10)28(21,22)23-9-13(20)14-15(24-11(2)19)16-17(25-14)27-18(3,4)26-16/h5-8,14-17H,9H2,1-4H3/t14-,15-,16+,17+/m1/s1
InChIKey MAEAFGAWKQVRGW-NCOADZHNSA-N
Mol Weight 414.43 g/mol
Molecular Formula C18H22O9S
Exact Mass 414.098453 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 31vjd9kISKL
Name 1,2-O-isopropylidene-6-O-tosyl-3-O-acetyl-.beta.-D-arabino-hexofuranos-5-ulose
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O9S
InChI InChI=1S/C18H22O9S/c1-10-5-7-12(8-6-10)28(21,22)23-9-13(20)14-15(24-11(2)19)16-17(25-14)27-18(3,4)26-16/h5-8,14-17H,9H2,1-4H3/t14-,15-,16+,17+/m1/s1
InChIKey MAEAFGAWKQVRGW-NCOADZHNSA-N
Molecular Weight 414.425 g/mol
SMILES [C@@]12([C@@](O[C@@]([C@]2(OC(=O)C)[H])(C(COS(c2ccc(cc2)C)(=O)=O)=O)[H])(OC(O1)(C)C)[H])[H]
SPLASH splash10-0006-9000000000-1913818995927e6b305a
Source of Spectrum AJ-64-873-9
Synonyms (5Z)-3-O-acetyl-1,2-O-(1-methylethylidene)-6-O-[(4-methylphenyl)sulfonyl]-.beta.-D-arabino-hex-5-enofuranose 1,2-O-Isopropylidene-3-O-acetyl-6-O-tosyl-.beta.,D-arabino-hexofuranos-5-ulose Acetic acid (3aS,5S,6S,6aS)-2,2-dimethyl-5-[2-(toluene-4-sulfonyloxy)-acetyl]-tetrahydro-furo[2,3-d][1,3]dioxol-6-yl ester
Wiley ID 1375196