| SpectraBase Spectrum ID |
HbohDSCpp3D |
| Name |
(2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxane-3,4,5-triol pentaacetate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
526.168641013 u |
| Formula |
C24H30O13 |
| InChI |
InChI=1S/C24H30O13/c1-12(25)31-10-17-7-8-18(19(9-17)30-6)36-24-23(35-16(5)29)22(34-15(4)28)21(33-14(3)27)20(37-24)11-32-13(2)26/h7-9,20-24H,10-11H2,1-6H3/t20-,21-,22+,23-,24-/m1/s1 |
| InChIKey |
DORTWRCJDBMLPR-GNADVCDUSA-N |
| Molecular Weight |
526.491 g/mol |
| SMILES |
C1(=C(C=CC(=C1)COC(=O)C)O[C@]1([C@](OC(=O)C)([C@@](OC(=O)C)([C@](OC(=O)C)([C@@](COC(=O)C)(O1)[H])[H])[H])[H])[H])OC |
![(2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxane-3,4,5-triol pentaacetate](/api/spectrum/HbohDSCpp3D/structure.png?h=300&w=458 "(2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxane-3,4,5-triol pentaacetate")
