| SpectraBase Spectrum ID |
8rOTTJOs2cB |
| Name |
(2R,3R,4R)-2-O-Methylsulfonyl-1,3-O-ethylideneoctadeca-6-yne-1,2,3,4-tetraol |
| Comments |
Note: The molecular formula of the structure shown is C21H38O6S - which differs from the formula reported for the mass spectrum (C21H40O6S) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H40O6S |
| 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 |
| SMILES |
O[C@@]([C@@]1([C@@](COC(C)O1)(OS(=O)(=O)C)[H])[H])(CC#CCCCCCCCCCCC)[H] |
| SPLASH |
splash10-0udr-4920000000-081e968a0e5fa591807c |
| Source of Spectrum |
KC-0-1561-9 |
| Wiley ID |
784126 |
