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(1S,2R,5S)-Menthyl 3,4,6-tri-O-benzyl-.beta.,D-mannopyranoside
SpectraBase Compound ID YbJfuMgxct
InChI InChI=1S/C37H48O6/c1-26(2)31-20-19-27(3)21-32(31)42-37-34(38)36(41-24-30-17-11-6-12-18-30)35(40-23-29-15-9-5-10-16-29)33(43-37)25-39-22-28-13-7-4-8-14-28/h4-18,26-27,31-38H,19-25H2,1-3H3/t27?,31?,32?,33-,34+,35+,36+,37-/m0/s1
InChIKey SDOKOQNRRQRYSZ-RHQRJQFKSA-N
Mol Weight 588.8 g/mol
Molecular Formula C37H48O6
Exact Mass 588.345089 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EWC8QwDDogf
Name (1S,2R,5S)-Menthyl 3,4,6-tri-O-benzyl-.beta.,D-mannopyranoside
Alternate Name(s) 2-isopropyl-5-methylcyclohexyl 3,4,6-tri-O-benzyl-.beta.-L-idopyranoside
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Formula C37H48O6
InChI InChI=1S/C37H48O6/c1-26(2)31-20-19-27(3)21-32(31)42-37-34(38)36(41-24-30-17-11-6-12-18-30)35(40-23-29-15-9-5-10-16-29)33(43-37)25-39-22-28-13-7-4-8-14-28/h4-18,26-27,31-38H,19-25H2,1-3H3/t27?,31?,32?,33-,34+,35+,36+,37-/m0/s1
InChIKey SDOKOQNRRQRYSZ-RHQRJQFKSA-N
Molecular Weight 588.785 g/mol
SMILES O[C@@]1([C@@](OCc2ccccc2)([C@@]([C@@](O[C@@]1(OC1C(CCC(C1)C)C(C)C)[H])(COCc1ccccc1)[H])(OCc1ccccc1)[H])[H])[H]
SPLASH splash10-0006-9000000000-d36b5226b221b0e43bc9
Source of Spectrum KD-15-2392-11
Wiley ID 1637166