| SpectraBase Spectrum ID |
8Uqz0yjMWQN |
| Name |
(4aS,8S,8aS)-8-(8-ethyl-3,12-dimethyl-trideca-3,7,11-trienyl)-4,4,7,8a-tetramethyl-1,2,3,4a,5,8-hexahydronaphthalene |
| 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(17-12-14-24(2)3)16-11-10-15-25(4)18-20-28-26(5)19-21-29-30(6,7)22-13-23-31(28,29)8/h14-16,19,28-29H,9-13,17-18,20-23H2,1-8H3/t28-,29-,31+/m0/s1 |
| InChIKey |
ZFKCOTYWTVOHNO-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 = +12 (c = 0.11, CHCl3) |
| Quality |
882 |
| Reported Formula |
C31H52 |
| SMILES |
C1C[C@]2([C@](C(C1)(C)C)(CC=C([C@@]2(CCC(=CCCC=C(CCC=C(C)C)CC)C)[H])C)[H])C |
| SPLASH |
splash10-0601-7952200000-c52ebbcd9272570872c5 |
| Source of Spectrum |
K1-2018-SM24-32 (DOI: 10.1002/ejoc.201800010) |
| Wiley ID |
1893940 |
