| SpectraBase Spectrum ID |
1qJIFuXhTDW |
| Name |
Cholestan-2-ol, 3-(phenylthio)-, trifluoroacetate, (2.beta.,3.alpha.,5.alpha.)- |
| Alternate Name(s) |
(2beta,3alpha,5alpha)-3-(phenylsulfanyl)cholestan-2-yl trifluoroacetate
3.alpha.-phenylthio-2.beta.-trifluoroacetoxy-5.alpha.-cholestane |
| CAS Registry Number |
106145-73-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C35H51F3O2S |
| InChI |
InChI=1S/C35H51F3O2S/c1-22(2)10-9-11-23(3)27-16-17-28-26-15-14-24-20-31(41-25-12-7-6-8-13-25)30(40-32(39)35(36,37)38)21-34(24,5)29(26)18-19-33(27,28)4/h6-8,12-13,22-24,26-31H,9-11,14-21H2,1-5H3/t23-,24+,26+,27-,28+,29+,30+,31+,33-,34+/m1/s1 |
| InChIKey |
DRCLISWZRYOEHP-BDSPRQGDSA-N |
| Molecular Weight |
592.846 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@](Sc2ccccc2)([C@](C1)(OC(C(F)(F)F)=O)[H])[H])[H])[H])C |
| SPLASH |
splash10-0006-0000090000-096c4204532fedd28278 |
| Source of Spectrum |
KC-1986-1073-21 |
| Wiley ID |
1409520 |
