| SpectraBase Spectrum ID |
3aYpYCWUcZL |
| Name |
sedoheptulose, 6TMS |
| Alternate Name(s) |
Sedoheptulose, 6TMS
Volemulose, 6TMS
altro-Heptulose, 6TMS
D-sedoheptulose, 6TMS
D-Altro-2-heptulose, 6TMS
D-altro-hept-2-ulose, 6TMS
(3S,4R,5R,6R)-1,3,4,5,6,7-hexahydroxyheptan-2-one, 6TMS
(6S,7R,8R,9R)-2,2,12,12-tetramethyl-6,7,8,9-tetrakis((trimethylsilyl)oxy)-3,11-dioxa-2,12-disilatridecan-5-one |
| Comments |
Derivatization type: 6 TMS (mass: 642.311); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000344; Note: The molecular formula of the structure shown is C7H14O7 - which differs from the formula reported for the mass spectrum (C25H62O7Si6) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H62O7Si6 |
| InChI |
InChI=1S/C25H62O7Si6/c1-33(2,3)27-19-21(26)23(30-36(10,11)12)25(32-38(16,17)18)24(31-37(13,14)15)22(29-35(7,8)9)20-28-34(4,5)6/h22-25H,19-20H2,1-18H3/t22-,23-,24-,25+/m1/s1 |
| InChIKey |
YPWQROLNAURUHV-VPBXCIAMSA-N |
| Molecular Weight |
643.274 g/mol |
| SMILES |
C([C@]([C@]([C@]([C@@](C(CO[Si](C)(C)C)=O)(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])O[Si](C)(C)C |
| SPLASH |
splash10-0udj-0981000000-1578f37e2e911a7af089 |
| Source of Spectrum |
FM-2019-344-0 |
| Wiley ID |
1818031 |
