| SpectraBase Spectrum ID |
4KHUUD3MRfC |
| Name |
(2S,3S,6S)-6-Acetoxy-6-[(2R,5R,6S)-5-ethyl-5-acetoxy-6-methyltetrahydropyran-2-yl]-2,3-epoxyheptan-1-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
372.214803363 u |
| Formula |
C19H32O7 |
| InChI |
InChI=1S/C19H32O7/c1-6-19(26-14(4)22)10-8-17(23-12(19)2)18(5,25-13(3)21)9-7-15-16(11-20)24-15/h12,15-17,20H,6-11H2,1-5H3/t12-,15-,16-,17+,18-,19+/m0/s1 |
| InChIKey |
OPUBLEOERYRRLO-QFFBVBKJSA-N |
| Molecular Weight |
372.458 g/mol |
| SMILES |
[C@@]1(O[C@]1(CC[C@@]([C@@]1(O[C@@](C)([C@@](CC1)(OC(=O)C)CC)[H])[H])(OC(=O)C)C)[H])(CO)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.800544 |
![(2S,3S,6S)-6-Acetoxy-6-[(2R,5R,6S)-5-ethyl-5-acetoxy-6-methyltetrahydropyran-2-yl]-2,3-epoxyheptan-1-ol](/api/spectrum/4KHUUD3MRfC/structure.png?h=300&w=458 "(2S,3S,6S)-6-Acetoxy-6-[(2R,5R,6S)-5-ethyl-5-acetoxy-6-methyltetrahydropyran-2-yl]-2,3-epoxyheptan-1-ol")
