| SpectraBase Spectrum ID |
111z6l46ojL |
| Name |
3-Cyclohexen-1-ol, 4,4'-(3,7,11,16,20,24-hexamethyl-1,3,5,7,9,11,13,15,17,19,21,23,25-hexacosatridecaene-1,26-diyl)bis[3,5,5-trimethyl-, [R-[R*,R*-(all-E)]]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
700.521931428 u |
| Formula |
C50H68O2 |
| InChI |
InChI=1S/C50H68O2/c1-37(21-15-23-39(3)25-17-27-41(5)29-31-47-43(7)33-45(51)35-49(47,9)10)19-13-14-20-38(2)22-16-24-40(4)26-18-28-42(6)30-32-48-44(8)34-46(52)36-50(48,11)12/h13-32,45-46,51-52H,33-36H2,1-12H3/b14-13+,21-15+,22-16+,25-17+,26-18+,31-29+,32-30+,37-19-,38-20+,39-23+,40-24+,41-27+,42-28+/t45-,46-/m1/s1 |
| InChIKey |
VOVHITNJMQGJRU-MERLVGJYSA-N |
| SMILES |
C1(=C(C[C@](CC1(C)C)(O)[H])C)\C=C\C(=C\C=C\C(=C\C=C\C(=C\C=C\C=C/(\C=C\C=C\(\C=C\C=C\(\C=C\C1=C(C[C@](CC1(C)C)(O)[H])C)C)C)C)C)C)C |
![3-Cyclohexen-1-ol, 4,4'-(3,7,11,16,20,24-hexamethyl-1,3,5,7,9,11,13,15,17,19,21,23,25-hexacosatridecaene-1,26-diyl)bis[3,5,5-trimethyl-, [R-[R*,R*-(all-E)]]-](/api/spectrum/111z6l46ojL/structure.png?h=300&w=458 "3-Cyclohexen-1-ol, 4,4'-(3,7,11,16,20,24-hexamethyl-1,3,5,7,9,11,13,15,17,19,21,23,25-hexacosatridecaene-1,26-diyl)bis[3,5,5-trimethyl-, [R-[R*,R*-(all-E)]]-")
