| SpectraBase Spectrum ID |
KaDltbVorS4 |
| Name |
(3aR,4R,5R,7aR)-4-methoxy-2,2-dimethyl-7-(7-methyl-3-methylene-oct-6-en-1-ynyl)-3a,4,5,7a-tetrahydro-1,3-benzodioxol-5-ol |
| Appearance |
Clear light yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H28O4 |
| InChI |
InChI=1S/C20H28O4/c1-13(2)8-7-9-14(3)10-11-15-12-16(21)18(22-6)19-17(15)23-20(4,5)24-19/h8,12,16-19,21H,3,7,9H2,1-2,4-6H3/t16-,17-,18-,19-/m1/s1 |
| InChIKey |
JRZLDYATLLSLAD-NCXUSEDFSA-N |
| Instrument Name |
Autospec Premier Micromass magnetic-sector |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np4002866 |
| Molecular Weight |
332.440 g/mol |
| Optical Rotation |
[a]D = +34 (c = 0.5, CHCl3) |
| Reported Formula |
C20H28O4 |
| SMILES |
O[C@]1([C@]([C@]2([C@@](OC(O2)(C)C)([H])C(C#CC(CCC=C(C)C)=C)=C1)[H])(OC)[H])[H] |
| SPLASH |
splash10-014i-0900000000-a7158a26b753078d21eb |
| Source of Spectrum |
G4-76-1517-Compound 10R |
| Thin-Layer Chromatography |
Rf = 0.5 (ethyl acetate/CH2Cl2/hexane, 4:2.5:5.5) |
| Wiley ID |
1865683 |
