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Cholestane-2-methanol, 3-[(methylsulfonyl)oxy]-, methanesulfonate, (2.alpha.,3.beta.,5.alpha.)-
SpectraBase Compound ID AGR9kggsTqE
InChI InChI=1S/C30H54O6S2/c1-20(2)9-8-10-21(3)25-13-14-26-24-12-11-23-17-28(36-38(7,33)34)22(19-35-37(6,31)32)18-30(23,5)27(24)15-16-29(25,26)4/h20-28H,8-19H2,1-7H3/t21-,22+,23?,24+,25-,26+,27+,28?,29-,30+/m1/s1
InChIKey RWZUSEAZPQPFJF-GXVIEEKFSA-N
Mol Weight 574.9 g/mol
Molecular Formula C30H54O6S2
Exact Mass 574.336182 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5xo68QkcgL2
Name Cholestane-2-methanol, 3-[(methylsulfonyl)oxy]-, methanesulfonate, (2.alpha.,3.beta.,5.alpha.)-
CAS Registry Number 114670-09-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H54O6S2
InChI InChI=1S/C30H54O6S2/c1-20(2)9-8-10-21(3)25-13-14-26-24-12-11-23-17-28(36-38(7,33)34)22(19-35-37(6,31)32)18-30(23,5)27(24)15-16-29(25,26)4/h20-28H,8-19H2,1-7H3/t21-,22+,23?,24+,25-,26+,27+,28?,29-,30+/m1/s1
InChIKey RWZUSEAZPQPFJF-GXVIEEKFSA-N
Molecular Weight 574.876 g/mol
SMILES [C@@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CCC2CC(OS(=O)(=O)C)[C@@](C1)(COS(=O)(=O)C)[H])[H])C
SPLASH splash10-001i-0009830000-ae8bc58000909515ac74
Source of Spectrum B-40-1101-10
Synonyms (2alpha)-2-{[(methylsulfonyl)oxy]methyl}cholestan-3-yl methanesulfonate 3-Methylsulfonyloxy-2.alpha.-methylsulfonyloxymethylcholestane
Wiley ID 1408036