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(3.alpha.,5.alpha.,7.beta.)-3,4,4-Trimethylcholestan-3,7-diol Methanesulfonate

View entire compound with spectra: 1 MS (GC)

(3.alpha.,5.alpha.,7.beta.)-3,4,4-Trimethylcholestan-3,7-diol Methanesulfonate
SpectraBase Compound ID 90AebHBnY5f
InChI InChI=1S/C31H56O4S/c1-20(2)11-10-12-21(3)22-13-14-23-27-24(15-16-29(22,23)6)30(7)17-18-31(8,35-36(9,33)34)28(4,5)26(30)19-25(27)32/h20-27,32H,10-19H2,1-9H3/t21-,22-,23+,24+,25+,26+,27+,29-,30-,31-/m1/s1
InChIKey VVEOIMPFHPGIMA-TXTDVOIMSA-N
Mol Weight 524.8 g/mol
Molecular Formula C31H56O4S
Exact Mass 524.389931 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 247fs0FVjJe
Name (3.alpha.,5.alpha.,7.beta.)-3,4,4-Trimethylcholestan-3,7-diol Methanesulfonate
Alternate Name(s) (3alpha,5alpha,7beta)-7-hydroxy-3,4,4-trimethylcholestan-3-yl methanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H56O4S
InChI InChI=1S/C31H56O4S/c1-20(2)11-10-12-21(3)22-13-14-23-27-24(15-16-29(22,23)6)30(7)17-18-31(8,35-36(9,33)34)28(4,5)26(30)19-25(27)32/h20-27,32H,10-19H2,1-9H3/t21-,22-,23+,24+,25+,26+,27+,29-,30-,31-/m1/s1
InChIKey VVEOIMPFHPGIMA-TXTDVOIMSA-N
Molecular Weight 524.845 g/mol
SMILES O[C@@]1([C@]2([C@@]3(CC[C@@]([C@]3(CC[C@@]2([C@@]2([C@](C(C)(C)[C@@](CC2)(OS(=O)(=O)C)C)(C1)[H])C)[H])C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H])[H]
SPLASH splash10-0bta-1219700000-4b32f24faf3b239447c1
Source of Spectrum J-61-864-2
Wiley ID 1402606