SpectraBase Spectrum ID |
BKKnWMkaKJO |
Name |
(1R,2R)-2,3-Dibenzyloxy-1-[2-(1,3-dioxolan-2-yl)]ethylpropyl methanesulfanate |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
450.171224473 u |
Formula |
C23H30O7S |
InChI |
InChI=1S/C23H30O7S/c1-31(24,25)30-21(12-13-23-27-14-15-28-23)22(29-17-20-10-6-3-7-11-20)18-26-16-19-8-4-2-5-9-19/h2-11,21-23H,12-18H2,1H3/t21-,22-/m1/s1 |
InChIKey |
BMQWERCNDDBGHQ-FGZHOGPDSA-N |
Molecular Weight |
450.546 g/mol |
SMILES |
[C@@](OS(=O)(=O)C)([C@](OCC1=CC=CC=C1)(COCC1=CC=CC=C1)[H])(CCC1OCCO1)[H] |