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(2S,3S,4S,5R,6R,7R)-3,5-Isopropylidenedioxy-7-(4-methoxybenzyloxy)-6-methoxymetoxy-1-(phenylsulfinyl)-2,4,6-trimethylnonane

View entire compound with spectra: 1 MS (GC)

(2S,3S,4S,5R,6R,7R)-3,5-Isopropylidenedioxy-7-(4-methoxybenzyloxy)-6-methoxymetoxy-1-(phenylsulfinyl)-2,4,6-trimethylnonane
SpectraBase Compound ID 3ySip8CRzHH
InChI InChI=1S/C31H46O7S/c1-9-27(35-19-24-15-17-25(34-8)18-16-24)31(6,36-21-33-7)29-23(3)28(37-30(4,5)38-29)22(2)20-39(32)26-13-11-10-12-14-26/h10-18,22-23,27-29H,9,19-21H2,1-8H3/t22-,23+,27-,28+,29?,31-,39?/m1/s1
InChIKey FMLRONKBKVDLEP-DNXHZKJGSA-N
Mol Weight 562.8 g/mol
Molecular Formula C31H46O7S
Exact Mass 562.296425 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ItyeEMxuYsm
Name (2S,3S,4S,5R,6R,7R)-3,5-Isopropylidenedioxy-7-(4-methoxybenzyloxy)-6-methoxymetoxy-1-(phenylsulfinyl)-2,4,6-trimethylnonane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H46O7S
InChI InChI=1S/C31H46O7S/c1-9-27(35-19-24-15-17-25(34-8)18-16-24)31(6,36-21-33-7)29-23(3)28(37-30(4,5)38-29)22(2)20-39(32)26-13-11-10-12-14-26/h10-18,22-23,27-29H,9,19-21H2,1-8H3/t22-,23+,27-,28+,29?,31-,39?/m1/s1
InChIKey FMLRONKBKVDLEP-DNXHZKJGSA-N
Molecular Weight 562.762 g/mol
SMILES C1([C@]([C@]([C@@](CS(=O)c2ccccc2)(C)[H])(OC(O1)(C)C)[H])(C)[H])[C@@]([C@](OCc1ccc(cc1)OC)(CC)[H])(OCOC)C
SPLASH splash10-00di-0901040000-ea463ace7b444117fdab
Source of Spectrum E1-37-1170-9
Wiley ID 1517692