| SpectraBase Spectrum ID |
9CCGubeRAfn |
| Name |
(1S,2S,3Z,5S,7E,11R,12R)-2,11-Cyclocembra-3,17-dien-5,12-diol |
| Comments |
Computed using HOSE algorithm |
| 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)16-10-11-20(5,22)18-8-6-14(3)7-9-19(21)15(4)12-17(16)18/h7,12-13,16-19,21-22H,6,8-11H2,1-5H3/b14-7+,15-12?/t16-,17+,18+,19-,20+/m0/s1 |
| InChIKey |
YYNWLSIXHVQJJC-WZRSWICISA-N |
| SMILES |
[C@]12(C=C([C@](C\C=C\(CC[C@]2([C@@](O)(C)CC[C@]1(C(C)C)[H])[H])C)(O)[H])C)[H] |
