| SpectraBase Spectrum ID |
7QN2j2d5yPr |
| Name |
3-Acetyl-1,4,5,6-tetra-o-benzyl-2-o-methanesulphonyl-myo-inositol |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
660.239304033 u |
| Formula |
C37H40O9S |
| InChI |
InChI=1S/C37H40O9S/c1-27(38)37(39)35(45-26-31-21-13-6-14-22-31)33(43-24-29-17-9-4-10-18-29)32(42-23-28-15-7-3-8-16-28)34(36(37)46-47(2,40)41)44-25-30-19-11-5-12-20-30/h3-22,32-36,39H,23-26H2,1-2H3/t32-,33-,34+,35+,36+,37-/m0/s1 |
| InChIKey |
MLDPQXFNBJNWMV-ALMSKXICSA-N |
| SMILES |
[C@]1([C@@]([C@](OCC=2C=CC=CC2)([C@]([C@@]([C@]1(OCC1=CC=CC=C1)[H])(OCC=1C=CC=CC1)[H])(OCC=1C=CC=CC1)[H])[H])(OS(=O)(=O)C)[H])(C(=O)C)O |
