| SpectraBase Spectrum ID |
2rld9f6ofnP |
| Name |
10.alpha.-Acetoxy-3.alpha.,4.alpha.-epoxy-1,5.alpha.H,8.beta.H-guai-7(11)-en-8,12-olide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.146723803 u |
| Formula |
C17H22O5 |
| InChI |
InChI=1S/C17H22O5/c1-8-10-5-12-11(6-14-17(12,4)22-14)16(3,21-9(2)18)7-13(10)20-15(8)19/h11-14H,5-7H2,1-4H3/t11-,12-,13+,14-,16-,17+/m1/s1 |
| InChIKey |
CSOXQDLVMDBDLB-CTGQQHBGSA-N |
| Molecular Weight |
306.358 g/mol |
| SMILES |
[C@@]12(O[C@@]2(C[C@]2([C@@](C[C@]3(C(C[C@@]12[H])=C(C(=O)O3)C)[H])(OC(=O)C)C)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922264 |
