![(3.beta.,20S,22E)-24-(Methylthio)-3-[(tetrahydro-2H-pyran-2-yl)oxy]cholesta-5,22,24-trien-20-ol](/api/spectrum/BqsLRoE2lan/structure.png?h=300&w=458 "(3.beta.,20S,22E)-24-(Methylthio)-3-[(tetrahydro-2H-pyran-2-yl)oxy]cholesta-5,22,24-trien-20-ol")
| SpectraBase Compound ID | DOQzvg2PwfG |
|---|---|
| InChI | InChI=1S/C33H52O3S/c1-22(2)28(37-6)16-19-33(5,34)29-13-12-26-25-11-10-23-21-24(36-30-9-7-8-20-35-30)14-17-31(23,3)27(25)15-18-32(26,29)4/h10,16,19,24-27,29-30,34H,7-9,11-15,17-18,20-21H2,1-6H3/b19-16+/t24-,25-,26-,27-,29-,30?,31-,32-,33-/m0/s1 |
| InChIKey | WUPXJSVLYYOGIH-RHKPZEOWSA-N |
| Mol Weight | 528.8 g/mol |
| Molecular Formula | C33H52O3S |
| Exact Mass | 528.363717 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BqsLRoE2lan |
|---|---|
| Name | (3.beta.,20S,22E)-24-(Methylthio)-3-[(tetrahydro-2H-pyran-2-yl)oxy]cholesta-5,22,24-trien-20-ol |
| Alternate Name(s) | (3beta,22E)-24-(methylsulfanyl)-3-(tetrahydro-2H-pyran-2-yloxy)cholesta-5,22,24-trien-20-ol |
| CAS Registry Number | 84056-76-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H52O3S |
| InChI | InChI=1S/C33H52O3S/c1-22(2)28(37-6)16-19-33(5,34)29-13-12-26-25-11-10-23-21-24(36-30-9-7-8-20-35-30)14-17-31(23,3)27(25)15-18-32(26,29)4/h10,16,19,24-27,29-30,34H,7-9,11-15,17-18,20-21H2,1-6H3/b19-16+/t24-,25-,26-,27-,29-,30?,31-,32-,33-/m0/s1 |
| InChIKey | WUPXJSVLYYOGIH-RHKPZEOWSA-N |
| Molecular Weight | 528.836 g/mol |
| SMILES | O[C@@](\C=C\C(=C(C)C)SC)([C@@]1([C@@]2([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC2OCCCC2)(C4)[H])C)[H])(CC1)[H])C)[H])C |
| SPLASH | splash10-002r-9000070000-271703ad04bde01fbfd3 |
| Source of Spectrum | J-49-1088-0 |
| Wiley ID | 1403125 |