| SpectraBase Spectrum ID |
Hd2nMJZBlY5 |
| Name |
(1R,2R,3S,4R,5R)-3,4-Di-O-benzyl-5-benzyloxymethyl-1,2-O-thiocarbonylcyclohexan-1,2,3,4-tetraol |
| Alternate Name(s) |
(3aR,4S,5R,6R,7aR)-4,5-bis(benzyloxy)-6-[(benzyloxy)methyl]hexahydro-1,3-benzodioxole-2-thione |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H30O5S |
| InChI |
InChI=1S/C29H30O5S/c35-29-33-25-16-24(20-30-17-21-10-4-1-5-11-21)26(31-18-22-12-6-2-7-13-22)28(27(25)34-29)32-19-23-14-8-3-9-15-23/h1-15,24-28H,16-20H2/t24-,25-,26-,27-,28+/m1/s1 |
| InChIKey |
CQKMYYAVSHGEJX-FXGKLIOSSA-N |
| Molecular Weight |
490.614 g/mol |
| SMILES |
[C@@]12([C@]([C@](OCc3ccccc3)([C@](C[C@]1(OC(O2)=S)[H])(COCc1ccccc1)[H])[H])(OCc1ccccc1)[H])[H] |
| SPLASH |
splash10-0006-9000000000-34d78e4892f86124374a |
| Source of Spectrum |
QC-5-1357-12 |
| Wiley ID |
883632 |
