| SpectraBase Spectrum ID |
9w9CWWaGPq8 |
| Name |
5-[3-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctyl]oxolan-2-one, tetraacetate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
544.251976716 u |
| Formula |
C26H40O12 |
| InChI |
InChI=1S/C26H40O12/c1-6-7-8-9-19(10-11-20-12-13-22(31)36-20)37-26-25(35-18(5)30)24(34-17(4)29)23(33-16(3)28)21(38-26)14-32-15(2)27/h19-21,23-26H,6-14H2,1-5H3/t19?,20?,21-,23-,24+,25-,26-/m1/s1 |
| InChIKey |
PFJBSCBJPKVZIP-YDJVFHLZSA-N |
| Molecular Weight |
544.594 g/mol |
| SMILES |
C1CC(OC1=O)CCC(CCCCC)O[C@@]1(O[C@@]([C@]([C@@]([C@]1(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(COC(=O)C)[H])[H] |
![5-[3-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctyl]oxolan-2-one, tetraacetate](/api/spectrum/9w9CWWaGPq8/structure.png?h=300&w=458 "5-[3-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctyl]oxolan-2-one, tetraacetate")
