| SpectraBase Spectrum ID |
8yxE5awVpT6 |
| Name |
(1S,2S,4R,5R,6S,8S)-1,4-Dimethyl-4,8-dimethylenetricyclo[6.2.1.0(2,5)]undecane-6,12,15-triol |
| Appearance |
Oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H26O3 |
| InChI |
InChI=1S/C15H26O3/c1-13-3-4-15(7-13,9-17)6-11(18)12-10(13)5-14(12,2)8-16/h10-12,16-18H,3-9H2,1-2H3/t10-,11-,12-,13-,14-,15+/m0/s1 |
| InChIKey |
SHSNTODRLKTUIV-WCBJTDJXSA-N |
| Instrument Name |
Finnigan Voyager |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np3009013 |
| Molecular Weight |
254.370 g/mol |
| Optical Rotation |
[a]D25 = +49 (c = 0.14, CDCl3) |
| Reported Formula |
C15H26O3 |
| SMILES |
OC[C@]1([C@]2([C@@]([C@@]3(C[C@@](CO)(CC3)C[C@@]2(O)[H])C)(C1)[H])[H])C |
| SPLASH |
splash10-0bu4-9810000000-e26de761cd28f73c1a9b |
| Source of Spectrum |
G4-76-1023-12 |
| Wiley ID |
1865668 |
![(1S,2S,4R,5R,6S,8S)-1,4-Dimethyl-4,8-dimethylenetricyclo[6.2.1.0(2,5)]undecane-6,12,15-triol](/api/spectrum/8yxE5awVpT6/structure.png?h=300&w=458 "(1S,2S,4R,5R,6S,8S)-1,4-Dimethyl-4,8-dimethylenetricyclo[6.2.1.0(2,5)]undecane-6,12,15-triol")
