| SpectraBase Spectrum ID |
B4TXF5u3zX6 |
| Name |
(4aS,5S,8aS)-5-(8-ethyl-4,12-dimethyl-trideca-3,7,11-trienyl)-1,1,4a-trimethyl-6-methylene-decalin |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
424.406901674 u |
| Formula |
C31H52 |
| InChI |
InChI=1S/C31H52/c1-9-27(17-10-14-24(2)3)18-11-15-25(4)16-12-19-28-26(5)20-21-29-30(6,7)22-13-23-31(28,29)8/h14,16,18,28-29H,5,9-13,15,17,19-23H2,1-4,6-8H3/t28-,29-,31+/m0/s1 |
| InChIKey |
FSMAGLGXBMIZRC-GSBZAIBZSA-N |
| Instrument Name |
JEOL SX 100/JMS-Q1000 GC K9 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201800010 |
| Molecular Weight |
424.757 g/mol |
| Optical Rotation |
[a]D25 = +25 (c = 0.186, CHCl3) |
| Quality |
829 |
| Reported Formula |
C31H52 |
| SMILES |
C1C[C@]2([C@](C(C1)(C)C)(CCC([C@@]2(CCC=C(C)CCC=C(CCC=C(C)C)CC)[H])=C)[H])C |
| SPLASH |
splash10-0671-8920200000-f44b333cee981008fd26 |
| Source of Spectrum |
K1-2018-SM14-30 (DOI: 10.1002/ejoc.201800010) |
| Wiley ID |
1893938 |
