| SpectraBase Spectrum ID |
SjMFMlp0i |
| Name |
(1R,2S,5R,6S,8R,9S)-8-methylene-1,4,4-trimethyltricyclo[6.2.1.0(2,5)]undecane-6,9,12-triol |
| Appearance |
Oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H26O3 |
| InChI |
InChI=1S/C15H26O3/c1-13(2)4-9-12(13)10(17)5-15(8-16)7-14(9,3)6-11(15)18/h9-12,16-18H,4-8H2,1-3H3/t9-,10-,11-,12-,14-,15-/m0/s1 |
| InChIKey |
HCEFLAKBDPUXNY-ZVOPPPCBSA-N |
| Instrument Name |
Finnigan Voyager |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np3009013 |
| Molecular Weight |
254.370 g/mol |
| Optical Rotation |
[a]D25 = +23 (c = 0.12, CDCl3) |
| SMILES |
O[C@]1(C[C@]2(C[C@]1(CO)C[C@@]([C@@]1([C@@]2(CC1(C)C)[H])[H])(O)[H])C)[H] |
| SPLASH |
splash10-0a4v-9500000000-efbcc7c1c98bb51dfd94 |
| Source of Spectrum |
G4-76-1023-11 |
| Wiley ID |
1865667 |
![(1R,2S,5R,6S,8R,9S)-8-methylene-1,4,4-trimethyltricyclo[6.2.1.0(2,5)]undecane-6,9,12-triol](/api/spectrum/SjMFMlp0i/structure.png?h=300&w=458 "(1R,2S,5R,6S,8R,9S)-8-methylene-1,4,4-trimethyltricyclo[6.2.1.0(2,5)]undecane-6,9,12-triol")
