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Cholestane-2-ethanol, 3-[(methylsulfonyl)oxy]-, methanesulfonate, (2.alpha.,3.alpha.,5.alpha.)-
SpectraBase Compound ID 8JkCDGejXjd
InChI InChI=1S/C31H56O6S2/c1-21(2)9-8-10-22(3)26-13-14-27-25-12-11-24-19-29(37-39(7,34)35)23(16-18-36-38(6,32)33)20-31(24,5)28(25)15-17-30(26,27)4/h21-29H,8-20H2,1-7H3/t22-,23-,24+,25+,26-,27+,28+,29+,30-,31+/m1/s1
InChIKey SOBODYLKDDTFNB-HHMBSGHBSA-N
Mol Weight 588.9 g/mol
Molecular Formula C31H56O6S2
Exact Mass 588.351832 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JS8a14sgfLg
Name Cholestane-2-ethanol, 3-[(methylsulfonyl)oxy]-, methanesulfonate, (2.alpha.,3.alpha.,5.alpha.)-
Alternate Name(s) (2alpha,3alpha,5alpha)-2-{2-[(methylsulfonyl)oxy]ethyl}cholestan-3-yl methanesulfonate 2.alpha.-(2'-hydroxyethyl)-5.alpha.-cholestan-3.alpha.-ol bis(methanesulfonate)
CAS Registry Number 114670-01-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H56O6S2
InChI InChI=1S/C31H56O6S2/c1-21(2)9-8-10-22(3)26-13-14-27-25-12-11-24-19-29(37-39(7,34)35)23(16-18-36-38(6,32)33)20-31(24,5)28(25)15-17-30(26,27)4/h21-29H,8-20H2,1-7H3/t22-,23-,24+,25+,26-,27+,28+,29+,30-,31+/m1/s1
InChIKey SOBODYLKDDTFNB-HHMBSGHBSA-N
Molecular Weight 588.903 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])CC[C@]2(C[C@](OS(=O)(=O)C)([C@@](C1)(CCOS(=O)(=O)C)[H])[H])[H])[H])C
SPLASH splash10-0006-9008800000-2f7e8b59d719ebe5b1bc
Source of Spectrum B-40-1098-4
Wiley ID 1409181