| SpectraBase Spectrum ID |
6njLr4POV1f |
| Name |
4,8,10-Tetradecatrien-3-one, 12-ethyl-14-[4-hydroxy-8-(2-hydroxypropyl)-3,9-dimethyl-1,7-dioxaspir o[5.5]undec-2-yl]-4,6-dimethyl-, [2R-[2.alpha.(4E,6S*,8E,10E,12S*),3.alpha.,4.alpha.,6.beta.[8R*(S*),9 R*]]]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
518.397124834 u |
| Formula |
C32H54O5 |
| InChI |
InChI=1S/C32H54O5/c1-8-27(14-12-10-11-13-22(3)19-24(5)28(34)9-2)15-16-30-26(7)29(35)21-32(36-30)18-17-23(4)31(37-32)20-25(6)33/h10-12,14,19,22-23,25-27,29-31,33,35H,8-9,13,15-18,20-21H2,1-7H3/b11-10+,14-12+,24-19+ |
| InChIKey |
XFKJBNZLWGPESJ-LELYYIHOSA-N |
| Molecular Weight |
518.779 g/mol |
| SMILES |
C12(OC(CCC(\C=C\C=C\CC(\C=C\(C(=O)CC)C)C)CC)C(C(C2)O)C)OC(CC(O)C)C(CC1)C |
![4,8,10-Tetradecatrien-3-one, 12-ethyl-14-[4-hydroxy-8-(2-hydroxypropyl)-3,9-dimethyl-1,7-dioxaspir o[5.5]undec-2-yl]-4,6-dimethyl-, [2R-[2.alpha.(4E,6S*,8E,10E,12S*),3.alpha.,4.alpha.,6.beta.[8R*(S*),9 R*]]]-](/api/spectrum/6njLr4POV1f/structure.png?h=300&w=458 "4,8,10-Tetradecatrien-3-one, 12-ethyl-14-[4-hydroxy-8-(2-hydroxypropyl)-3,9-dimethyl-1,7-dioxaspir o[5.5]undec-2-yl]-4,6-dimethyl-, [2R-[2.alpha.(4E,6S*,8E,10E,12S*),3.alpha.,4.alpha.,6.beta.[8R*(S*),9 R*]]]-")
