| SpectraBase Compound ID | LxGBCIKQDew |
|---|---|
| InChI | InChI=1S/C34H48O2S/c1-23(2)30(37-26-10-8-7-9-11-26)18-21-34(5,35)31-15-14-28-27-13-12-24-22-25(36-6)16-19-32(24,3)29(27)17-20-33(28,31)4/h7-12,18,21,25,27-29,31,35H,13-17,19-20,22H2,1-6H3/b21-18+/t25-,27-,28-,29-,31-,32-,33-,34-/m0/s1 |
| InChIKey | XEBZFUMVSBHXNO-WYXLVNJJSA-N |
| Mol Weight | 520.8 g/mol |
| Molecular Formula | C34H48O2S |
| Exact Mass | 520.337502 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IXAvtaY1XP5 |
|---|---|
| Name | (3.beta.,22E)-3-Methoxy-24-(phenylthio)cholesta-5,22,24-trien-20-ol |
| Alternate Name(s) | (3beta,22E)-3-methoxy-24-(phenylsulfanyl)cholesta-5,22,24-trien-20-ol |
| CAS Registry Number | 84051-53-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H48O2S |
| InChI | InChI=1S/C34H48O2S/c1-23(2)30(37-26-10-8-7-9-11-26)18-21-34(5,35)31-15-14-28-27-13-12-24-22-25(36-6)16-19-32(24,3)29(27)17-20-33(28,31)4/h7-12,18,21,25,27-29,31,35H,13-17,19-20,22H2,1-6H3/b21-18+/t25-,27-,28-,29-,31-,32-,33-,34-/m0/s1 |
| InChIKey | XEBZFUMVSBHXNO-WYXLVNJJSA-N |
| Molecular Weight | 520.816 g/mol |
| SMILES | O[C@@](\C=C\C(Sc1ccccc1)=C(C)C)([C@@]1([C@@]2([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC)(C4)[H])C)[H])(CC1)[H])C)[H])C |
| SPLASH | splash10-0f89-0090160000-8ff01d7a89816dafb6b7 |
| Source of Spectrum | J-49-1088-0 |
| Wiley ID | 1402054 |