| SpectraBase Spectrum ID |
1Wab11qsuf7 |
| Name |
3-Acetyl-1,4,5,6-tetra-O-benzyl-2-O-methanesulphonyl-myo-inositol |
| Alternate Name(s) |
(1R,2S,3R,4S,5S,6R)-2-acetyl-3,4,5,6-tetrakis(benzyloxy)-2-hydroxycyclohexyl methanesulfonate |
| CAS Registry Number |
135042-08-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 |
| Molecular Weight |
660.778 g/mol |
| SMILES |
O[C@@]1([C@@]([C@](OCc2ccccc2)([C@]([C@@]([C@]1(OCc1ccccc1)[H])(OCc1ccccc1)[H])(OCc1ccccc1)[H])[H])(OS(=O)(=O)C)[H])C(=O)C |
| SPLASH |
splash10-0006-9200020000-a27e4a6af483bb930e81 |
| Source of Spectrum |
K-124-2276-17 |
| Wiley ID |
1413573 |
