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(2S,3R,4S,5R,6R,7R)-3,5-Isopropylidenedioxy-7-(4-methoxybenzyloxy)-6-methoxymetoxy-1-(4-(toluenesulfonyloxy)-2,4,6-trimethylnonane
SpectraBase Compound ID EgS5PByE90b
InChI InChI=1S/C32H48O9S/c1-10-28(37-20-25-13-15-26(36-9)16-14-25)32(7,38-21-35-8)30-24(4)29(40-31(5,6)41-30)23(3)19-39-42(33,34)27-17-11-22(2)12-18-27/h11-18,23-24,28-30H,10,19-21H2,1-9H3/t23-,24+,28-,29+,30-,32?/m1/s1
InChIKey IUBXXEXGASYTGG-XOKWYNENSA-N
Mol Weight 608.8 g/mol
Molecular Formula C32H48O9S
Exact Mass 608.301904 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ZCZ3yrwTpE
Name (2S,3R,4S,5R,6R,7R)-3,5-Isopropylidenedioxy-7-(4-methoxybenzyloxy)-6-methoxymetoxy-1-(4-(toluenesulfonyloxy)-2,4,6-trimethylnonane
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Formula C32H48O9S
InChI InChI=1S/C32H48O9S/c1-10-28(37-20-25-13-15-26(36-9)16-14-25)32(7,38-21-35-8)30-24(4)29(40-31(5,6)41-30)23(3)19-39-42(33,34)27-17-11-22(2)12-18-27/h11-18,23-24,28-30H,10,19-21H2,1-9H3/t23-,24+,28-,29+,30-,32?/m1/s1
InChIKey IUBXXEXGASYTGG-XOKWYNENSA-N
Molecular Weight 608.787 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)[C@]([C@]1([C@@]([C@](C([C@](OCc2ccc(cc2)OC)(CC)[H])(OCOC)C)(OC(O1)(C)C)[H])(C)[H])[H])(C)[H]
SPLASH splash10-00di-0900000000-5a51627722a266de7a0c
Source of Spectrum E1-37-1169-13
Wiley ID 1517694