| SpectraBase Spectrum ID |
3NrVVzMkeMg |
| Name |
Methyl (1S,4aS,6RS,8S,8aS)-6-hydroxy-8-hydroxymethyl-1-(2',3',4',6'tetracetyl-.beta.-D-glucopyranosyloxy)-1,4a,5,6,8,8a-hexahydro-pyrano[3,4-c]pyran-4-carboxylate |
| Alternate Name(s) |
Methyl(1S,4aS,8R,9S,9aS)-8-hydroxymethyl-6-oxo-1-(2',3',4',6'-tetraacetyl-.beta.-D-glucopyranosyloxy)-1,4a,5,6,8,8a-hexahydropyrano-[3,4-c]pyran-4-carboxylate
Methyl (1S,4aS,8S,8aS)-3-hydroxy-1-(hydroxymethyl)-8-[(2,3,4-tri-C-acetyl-8-deoxy-.beta.-D-gluco-octopyranosyl-7-ulose)oxy]-4,4a,8,8a-tetrahydro-1H,3H-pyrano[3,4-c]pyran-5-carboxylate |
| CAS Registry Number |
121961-13-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H34O16 |
| InChI |
InChI=1S/C25H34O16/c1-9(27)18(32)19-23(34,10(2)28)25(36,12(4)30)24(35,11(3)29)22(40-19)41-21-17-13(6-16(31)39-15(17)7-26)14(8-38-21)20(33)37-5/h8,13,15-19,21-22,26,31-32,34-36H,6-7H2,1-5H3/t13-,15-,16?,17+,18?,19-,21+,22+,23-,24+,25+/m1/s1 |
| InChIKey |
KXRWQNGXPHKRNX-SPFXFBNUSA-N |
| Molecular Weight |
590.531 g/mol |
| SMILES |
OC([C@@]1([C@@]([C@]([C@@]([C@@](O1)(O[C@]1([C@]2([C@@](CC(O[C@@]2(CO)[H])O)([H])C(=CO1)C(=O)OC)[H])[H])[H])(C(=O)C)O)(C(=O)C)O)(C(=O)C)O)[H])C(=O)C |
| SPLASH |
splash10-00kf-6902000000-a16d9e34cc7780745b87 |
| Source of Spectrum |
F-44-7149-3 |
| Wiley ID |
1409302 |
![Methyl (1S,4aS,6RS,8S,8aS)-6-hydroxy-8-hydroxymethyl-1-(2',3',4',6'tetracetyl-.beta.-D-glucopyranosyloxy)-1,4a,5,6,8,8a-hexahydro-pyrano[3,4-c]pyran-4-carboxylate](/api/spectrum/3NrVVzMkeMg/structure.png?h=300&w=458 "Methyl (1S,4aS,6RS,8S,8aS)-6-hydroxy-8-hydroxymethyl-1-(2',3',4',6'tetracetyl-.beta.-D-glucopyranosyloxy)-1,4a,5,6,8,8a-hexahydro-pyrano[3,4-c]pyran-4-carboxylate")
