| SpectraBase Spectrum ID |
BQN3R671nnE |
| Name |
(2R,3R,4R)-2-o-Methylsulfonyl-1,3-o-ethylideneoctadeca-6-yne-1,2,3,4-tetraol |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
418.238910112 u |
| Formula |
C21H38O6S |
| InChI |
InChI=1S/C21H38O6S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19(22)21-20(27-28(3,23)24)17-25-18(2)26-21/h18-22H,4-13,16-17H2,1-3H3/t18?,19-,20-,21-/m1/s1 |
| InChIKey |
JTXKBDNUUMGHLM-RQZKWSAFSA-N |
| Molecular Weight |
418.589 g/mol |
| Nominal Mass |
418 u |
| SMILES |
C1[C@]([C@@]([C@@](CC#CCCCCCCCCCCC)(O)[H])(OC(C)O1)[H])(OS(=O)(=O)C)[H] |
