| SpectraBase Spectrum ID |
ECifohzvntn |
| Name |
3-alpha-Acetyl-cuauhtemone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
294.183109313 u |
| Formula |
C17H26O4 |
| InChI |
InChI=1S/C17H26O4/c1-10(2)12-8-14-16(4,9-13(12)19)7-6-15(17(14,5)20)21-11(3)18/h14-15,20H,6-9H2,1-5H3/t14?,15-,16-,17+/m1/s1 |
| InChIKey |
GKCUTERFTPOUJM-IFFAKLHKSA-N |
| SMILES |
[C@@]1(OC(=O)C)([C@](C2CC(C(C[C@]2(CC1)C)=O)=C(C)C)(O)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.838724 |
