| SpectraBase Spectrum ID |
I0Duou2vML6 |
| Name |
(1R,4R,5S,6S,7R,8R,10R)-4-Methyl-1,10 : 4,5-diepoxy-6-hydroxy-8-acetoxy-7-isopropyl-10-formylcyclodecane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.172938551 u |
| Formula |
C17H26O6 |
| InChI |
InChI=1S/C17H26O6/c1-9(2)13-11(21-10(3)19)7-17(8-18)12(22-17)5-6-16(4)15(23-16)14(13)20/h8-9,11-15,20H,5-7H2,1-4H3/t11-,12-,13+,14+,15+,16-,17-/m1/s1 |
| InChIKey |
VOWGEZVKTJIMKD-BEPHGODMSA-N |
| Molecular Weight |
326.389 g/mol |
| SMILES |
[C@@]12(O[C@@]2(CC[C@]2(O[C@]2(C[C@]([C@@]([C@@]1(O)[H])(C(C)C)[H])(OC(=O)C)[H])C=O)[H])C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.814963 |
