| SpectraBase Spectrum ID |
HDzxum9I6W3 |
| Name |
Cholestan-3-d-2-ol, 3-(phenylthio)-, (2.beta.,3.alpha.,5.alpha.)- |
| Alternate Name(s) |
2-.beta.-hydroxy-3.alpha.phenylthio-[3.beta.-D]-5.alpha.-cholestane |
| CAS Registry Number |
106145-77-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C33H51DOS |
| InChI |
InChI=1S/C33H52OS/c1-22(2)10-9-11-23(3)27-16-17-28-26-15-14-24-20-31(35-25-12-7-6-8-13-25)30(34)21-33(24,5)29(26)18-19-32(27,28)4/h6-8,12-13,22-24,26-31,34H,9-11,14-21H2,1-5H3/t23-,24+,26+,27-,28+,29+,30+,31+,32-,33+/m1/s1/i12D |
| InChIKey |
JEMLPLRFOGNGSW-VOILLKEPSA-N |
| Molecular Weight |
497.844 g/mol |
| SMILES |
O[C@]1(C[C@@]2([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@@]1(Sc1ccccc1[2D])[H])[H])[H])C)[H] |
| SPLASH |
splash10-004i-0000900000-344c2b5ada0edf87c62b |
| Source of Spectrum |
KC-1986-1073-27 |
| Wiley ID |
1398346 |
