| SpectraBase Spectrum ID |
5BYlRycfGS |
| Name |
#13;[1-R-(1-alpha,3-alpha,4-beta,4A-alpha,5-beta,6-alpha,7A-alpha)]-4,5-Diacetoxy-7B-(acetyloxymethyl)-1,3-epoxymethane-3,4,4A,5,6,7A-hexahydro-6,7-oxireno-cyc |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.110732215 u |
| Formula |
C16H20O9 |
| InChI |
InChI=1S/C16H20O9/c1-6(17)21-5-16-11-10(13(14(16)25-16)23-8(3)19)12(22-7(2)18)9-4-20-15(11)24-9/h9-15H,4-5H2,1-3H3/t9-,10+,11-,12-,13-,14+,15-,16-/m1/s1 |
| InChIKey |
HZPUQYKLABRBKD-NZZARTGWSA-N |
| Molecular Weight |
356.327 g/mol |
| SMILES |
[C@@]12(O[C@@]([C@]([C@@]3([C@]2([C@@]2([C@]([C@@]3(OC(=O)C)[H])(O2)[H])COC(=O)C)[H])[H])(OC(=O)C)[H])(CO1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963135 |
![#13;[1-R-(1-alpha,3-alpha,4-beta,4A-alpha,5-beta,6-alpha,7A-alpha)]-4,5-Diacetoxy-7B-(acetyloxymethyl)-1,3-epoxymethane-3,4,4A,5,6,7A-hexahydro-6,7-oxireno-cyc](/api/spectrum/5BYlRycfGS/structure.png?h=300&w=458 "#13;[1-R-(1-alpha,3-alpha,4-beta,4A-alpha,5-beta,6-alpha,7A-alpha)]-4,5-Diacetoxy-7B-(acetyloxymethyl)-1,3-epoxymethane-3,4,4A,5,6,7A-hexahydro-6,7-oxireno-cyc")
