| SpectraBase Spectrum ID |
4nlgE1CcP8h |
| Name |
(1R,2R,3R,4R)-3-methoxy-6-(7-methyl-3-methylene-oct-6-en-1-ynyl)cyclohex-5-ene-1,2,4-triol |
| Appearance |
White crystalline solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H24O4 |
| InChI |
InChI=1S/C17H24O4/c1-11(2)6-5-7-12(3)8-9-13-10-14(18)17(21-4)16(20)15(13)19/h6,10,14-20H,3,5,7H2,1-2,4H3/t14-,15-,16-,17-/m1/s1 |
| InChIKey |
QMURELAJMFSPEF-QBPKDAKJSA-N |
| Instrument Name |
Autospec Premier Micromass magnetic-sector |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np4002866 |
| Molecular Weight |
292.375 g/mol |
| Optical Rotation |
[a]D = -65 (c = 0.5, CHCl3) |
| Reported Formula |
C17H24O4 |
| SMILES |
O[C@@]1(C(=C[C@]([C@]([C@@]1(O)[H])(OC)[H])(O)[H])C#CC(CCC=C(C)C)=C)[H] |
| SPLASH |
splash10-0173-9810000000-24783de36f7a20bdc562 |
| Source of Spectrum |
G4-76-1518-Compound 1R |
| Thin-Layer Chromatography |
Rf = 0.5 (methanol/ethyl acetate/hexane, 1:7:2) |
| Wiley ID |
1865685 |
