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(20R,22E,24R)-Des-A,B-25-carbobutylsulfanyl-24-[(triethylsilyl)oxy]-26,27-cyclo-22-dehydrocholestan-8.beta.-ol
SpectraBase Compound ID 80QZCCORdF2
InChI InChI=1S/C29H52O3SSi/c1-7-11-21-33-27(31)29(19-20-29)26(32-34(8-2,9-3)10-4)17-14-22(5)23-15-16-24-25(30)13-12-18-28(23,24)6/h14,17,22-26,30H,7-13,15-16,18-21H2,1-6H3/b17-14+/t22-,23-,24+,25+,26-,28-/m1/s1
InChIKey GYJVDSQLBKXIMF-PLLFASIYSA-N
Mol Weight 508.9 g/mol
Molecular Formula C29H52O3SSi
Exact Mass 508.340643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8MXH962gFUQ
Name (20R,22E,24R)-Des-A,B-25-carbobutylsulfanyl-24-[(triethylsilyl)oxy]-26,27-cyclo-22-dehydrocholestan-8.beta.-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H52O3SSi
InChI InChI=1S/C29H52O3SSi/c1-7-11-21-33-27(31)29(19-20-29)26(32-34(8-2,9-3)10-4)17-14-22(5)23-15-16-24-25(30)13-12-18-28(23,24)6/h14,17,22-26,30H,7-13,15-16,18-21H2,1-6H3/b17-14+/t22-,23-,24+,25+,26-,28-/m1/s1
InChIKey GYJVDSQLBKXIMF-PLLFASIYSA-N
Ionization Type EI
Molecular Weight 508.877 g/mol
SMILES O[C@@]1([C@]2([C@](CCC1)([C@](CC2)([C@](C)(\C=C\[C@](C1(C(SCCCC)=O)CC1)(O[Si](CC)(CC)CC)[H])[H])[H])C)[H])[H]
SPLASH splash10-009i-6922500000-71a4781c5a16792dc666
Source of Spectrum EP2714656A2
Wiley ID 1849830