| SpectraBase Spectrum ID |
IUvdHV1RC9d |
| Name |
1H,6H-Pyrano[3,4-C]pyran-4-carboxylic acid, 4A,5,8,8A-tetrahydro-8-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-6-oxo-1-[(2,3,4,6-tetra-o-acetyl-.beta.-D-glucopyranosyl)oxy]-, methyl ester, [1S-(1.alpha.,4A.alpha.,8.alpha.,8A.alpha.)]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
742.177885540 u |
| Formula |
C32H38O18S |
| InChI |
InChI=1S/C32H38O18S/c1-15-7-9-20(10-8-15)51(39,40)44-14-23-26-21(11-25(37)48-23)22(30(38)41-6)12-43-31(26)50-32-29(47-19(5)36)28(46-18(4)35)27(45-17(3)34)24(49-32)13-42-16(2)33/h7-10,12,21,23-24,26-29,31-32H,11,13-14H2,1-6H3/t21-,23-,24-,26+,27-,28+,29-,31+,32+/m1/s1 |
| InChIKey |
PSXXXFYDHWQFRH-RCTFEVOQSA-N |
| Molecular Weight |
742.698 g/mol |
| SMILES |
C=1([C@@]2([C@]([C@@](COS(C=3C=CC(=CC3)C)(=O)=O)(OC(C2)=O)[H])([H])[C@@](OC1)(O[C@]1([C@@]([C@@](OC(=O)C)([C@@]([C@](O1)(COC(=O)C)[H])(OC(=O)C)[H])[H])(OC(=O)C)[H])[H])[H])[H])C(=O)OC |
![1H,6H-Pyrano[3,4-c]pyran-4-carboxylic acid, 4a,5,8,8a-tetrahydro-8-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-6-oxo-1-[(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl)oxy]-, methyl ester, [1S-(1.alpha.,4a.alpha.,8.alpha.,8a.alpha.)]-](/api/spectrum/IUvdHV1RC9d/structure.png?h=300&w=458 "1H,6H-Pyrano[3,4-c]pyran-4-carboxylic acid, 4a,5,8,8a-tetrahydro-8-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-6-oxo-1-[(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl)oxy]-, methyl ester, [1S-(1.alpha.,4a.alpha.,8.alpha.,8a.alpha.)]-")
