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Ethanone, 2-[1-[[6,10-dimethyl-2-[(phenylthio)methyl]undecyl]oxy]-5-methyl-2-(1-methylethyl)cyclohexyl]-1-phenyl-, [1S-[1.alpha.(2S*,6S*),2.alpha.,5.beta.]]-
SpectraBase Compound ID 8AwyBUjWh5k
InChI InChI=1S/C38H58O2S/c1-29(2)15-13-16-31(5)17-14-18-33(28-41-35-21-11-8-12-22-35)27-40-38(25-32(6)23-24-36(38)30(3)4)26-37(39)34-19-9-7-10-20-34/h7-12,19-22,29-33,36H,13-18,23-28H2,1-6H3/t31-,32-,33?,36+,38+/m1/s1
InChIKey OHDJRLQGTMKHDH-AXXSAYNFSA-N
Mol Weight 578.9 g/mol
Molecular Formula C38H58O2S
Exact Mass 578.415752 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fs14z1i2s43
Name Ethanone, 2-[1-[[6,10-dimethyl-2-[(phenylthio)methyl]undecyl]oxy]-5-methyl-2-(1-methylethyl)cyclohexyl]-1-phenyl-, [1S-[1.alpha.(2S*,6S*),2.alpha.,5.beta.]]-
CAS Registry Number 105857-75-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H58O2S
InChI InChI=1S/C38H58O2S/c1-29(2)15-13-16-31(5)17-14-18-33(28-41-35-21-11-8-12-22-35)27-40-38(25-32(6)23-24-36(38)30(3)4)26-37(39)34-19-9-7-10-20-34/h7-12,19-22,29-33,36H,13-18,23-28H2,1-6H3/t31-,32-,33?,36+,38+/m1/s1
InChIKey OHDJRLQGTMKHDH-AXXSAYNFSA-N
Molecular Weight 578.940 g/mol
SMILES [C@]1(CC(=O)c2ccccc2)([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])OCC(CSc1ccccc1)CCC[C@@](CCCC(C)C)(C)[H]
SPLASH splash10-0a4i-0904000000-d22c55113c0228619f29
Source of Spectrum C-109-531-10
Synonyms 2-[(1S,2S,5R)-1-({(6R)-6,10-dimethyl-2-[(phenylsulfanyl)methyl]undecyl}oxy)-2-isopropyl-5-methylcyclohexyl]-1-phenylethanone 6,10-Dimethyl-2-hydroxymethyl-undecanol
Wiley ID 1408396