| SpectraBase Spectrum ID |
2p4KaZmKj5M |
| Name |
Lactose 8AC |
| CAS Registry Number |
6291-42-5 |
| Classification |
Sugar derivative |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
678.200728985 u |
| Formula |
C28H38O19 |
| InChI |
InChI=1S/C28H38O19/c1-11(29)37-9-19-21(39-13(3)31)23(40-14(4)32)26(43-17(7)35)28(46-19)47-22-20(10-38-12(2)30)45-27(44-18(8)36)25(42-16(6)34)24(22)41-15(5)33/h19-28H,9-10H2,1-8H3/t19-,20-,21+,22-,23+,24+,25-,26-,27+,28+/m0/s1 |
| InChIKey |
WOTQVEKSRLZRSX-VXTPYPQQSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
678.593 g/mol |
| Nominal Mass |
678 u |
| Quality |
966 |
| Retention Index |
5159 |
| SMILES |
[C@@]1([C@]([C@@]([C@@](O[C@]1(COC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(O[C@@]1([C@]([C@@]([C@@]([C@@](O1)(COC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])[H])[H] |
| SPLASH |
splash10-0159-2912000000-6c1a96dfa6ab24feacde |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Lactose octa acetate
1,2,3,6-Tetra-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-beta-D-galactopyranosyl)beta-D-glucopyranose |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001807 |
