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(25.xi.)-26-Hydroxy-19-norcholest-5(10)-en-3-one 3-(ethylenethioketal)
SpectraBase Compound ID 1wOzQRgfk1L
InChI InChI=1S/C28H46OS2/c1-19(18-29)5-4-6-20(2)25-9-10-26-24-8-7-21-17-28(30-15-16-31-28)14-12-22(21)23(24)11-13-27(25,26)3/h19-20,23-26,29H,4-18H2,1-3H3/t19?,20-,23-,24-,25-,26+,27-/m1/s1
InChIKey AKJCVEUOQZZRBQ-RKXQAOTJSA-N
Mol Weight 462.8 g/mol
Molecular Formula C28H46OS2
Exact Mass 462.299008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EyUm4Xhmjx2
Name (25.xi.)-26-Hydroxy-19-norcholest-5(10)-en-3-one 3-(ethylenethioketal)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46OS2
InChI InChI=1S/C28H46OS2/c1-19(18-29)5-4-6-20(2)25-9-10-26-24-8-7-21-17-28(30-15-16-31-28)14-12-22(21)23(24)11-13-27(25,26)3/h19-20,23-26,29H,4-18H2,1-3H3/t19?,20-,23-,24-,25-,26+,27-/m1/s1
InChIKey AKJCVEUOQZZRBQ-RKXQAOTJSA-N
Molecular Weight 462.795 g/mol
SMILES OCC(CCC[C@]([C@@]1([C@@]2([C@]([C@@]3(CCC4=C([C@]3(CC2)[H])CCC2(SCCS2)C4)[H])(CC1)[H])C)[H])(C)[H])C
SPLASH splash10-014i-0900000000-14409a70e372670842f2
Source of Spectrum C-114-313-0
Synonyms (6R)-2-methyl-6-[(1'S,10'S,11'S,14'R,15'R)-15'-methylspiro[1,3-dithiolane-2,5'-tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan]-2'(7')-en-14'-yl]heptan-1-ol
Wiley ID 1391155