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(4aS,5S,8aS)-5-(4-ethyl-8,12-dimethyl-trideca-3,7,11-trienyl)-1,1,4a-trimethyl-6-methylene-decalin
SpectraBase Compound ID E1AwoTi25Ma
InChI InChI=1S/C31H52/c1-9-27(17-11-16-25(4)15-10-14-24(2)3)18-12-19-28-26(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 IBDBHJRUKPFXEU-GSBZAIBZSA-N
Mol Weight 424.8 g/mol
Molecular Formula C31H52
Exact Mass 424.406902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LdUvQNXMEOc
Name (4aS,5S,8aS)-5-(4-ethyl-8,12-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(17-11-16-25(4)15-10-14-24(2)3)18-12-19-28-26(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 IBDBHJRUKPFXEU-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
Quality 779
SMILES C1C[C@]2([C@](C(C1)(C)C)(CCC([C@@]2(CCC=C(CC)CCC=C(CCC=C(C)C)C)[H])=C)[H])C
SPLASH splash10-0awi-6910300000-93f416eb01e76fbf345b
Source of Spectrum K1-2018-SM41-36 (DOI: 10.1002/ejoc.201800010)
Wiley ID 1893944