| SpectraBase Spectrum ID |
DKptHAbQjjN |
| Name |
14.alpha.-Hydroxy-totaran-13-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.255880333 u |
| Formula |
C20H34O2 |
| InChI |
InChI=1S/C20H34O2/c1-13(2)20(22)15-7-9-16-18(3,4)11-6-12-19(16,5)14(15)8-10-17(20)21/h13-16,22H,6-12H2,1-5H3/t14-,15+,16-,19+,20+/m0/s1 |
| InChIKey |
SRYYRNZYPBBLAQ-HRYJEPKJSA-N |
| SMILES |
[C@]12([C@@]3([C@@]([C@@](C(C)C)(O)C(CC3)=O)([H])CC[C@]1(C(C)(C)CCC2)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928012 |
