| SpectraBase Spectrum ID |
2gB11gS4baB |
| Name |
[(1R,2E,6S,8E,12E)-4-hydroxy-6-isopropenyl-3,9,13-trimethyl-cyclotetradeca-2,8,12-trien-1-yl] 3-hydroxy-2-methyl-butanoate |
| Appearance |
oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H40O4 |
| InChI |
InChI=1S/C25H40O4/c1-16(2)22-12-11-17(3)9-8-10-18(4)13-23(14-19(5)24(27)15-22)29-25(28)20(6)21(7)26/h10-11,14,20-24,26-27H,1,8-9,12-13,15H2,2-7H3/b17-11+,18-10+,19-14+/t20?,21?,22-,23+,24-/m0/s1 |
| InChIKey |
YUMLJLDCYHFOIA-CIFHWSQSSA-N |
| Instrument Name |
VG 70-250S |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np0303299 |
| Molecular Weight |
404.591 g/mol |
| Optical Rotation |
[a]D25 = +15.0 (c = 4.8, CHCl3) |
| Reported Formula |
C25H40O4 |
| SMILES |
OC(C(C(O[C@@]1(C\C(=C\CC\C(=C\C[C@@](C[C@@](\C(=C\1)C)(O)[H])(C(C)=C)[H])C)C)[H])=O)C)C |
| SPLASH |
splash10-05uv-5930000000-c5cdee67c81c25e676df |
| Source of Spectrum |
G4-67-182-2 |
| Wiley ID |
1881648 |
