![(3.beta.,22E)-24-(Phenylthio)-3-[(tetrahydro-2H-pyran-2-yl)oxy]cholesta-5,22,24-trien-20-ol](/api/spectrum/GaoLsRM3KGS/structure.png?h=300&w=458 "(3.beta.,22E)-24-(Phenylthio)-3-[(tetrahydro-2H-pyran-2-yl)oxy]cholesta-5,22,24-trien-20-ol")
| SpectraBase Compound ID | LBMcgs1q5tb |
|---|---|
| InChI | InChI=1S/C38H54O3S/c1-26(2)33(42-29-11-7-6-8-12-29)20-23-38(5,39)34-17-16-31-30-15-14-27-25-28(41-35-13-9-10-24-40-35)18-21-36(27,3)32(30)19-22-37(31,34)4/h6-8,11-12,14,20,23,28,30-32,34-35,39H,9-10,13,15-19,21-22,24-25H2,1-5H3/b23-20+/t28-,30-,31-,32-,34-,35?,36-,37-,38-/m0/s1 |
| InChIKey | PSVHUJFGJWCABO-JFQZQNGFSA-N |
| Mol Weight | 590.9 g/mol |
| Molecular Formula | C38H54O3S |
| Exact Mass | 590.379367 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | GaoLsRM3KGS |
|---|---|
| Name | (3.beta.,22E)-24-(Phenylthio)-3-[(tetrahydro-2H-pyran-2-yl)oxy]cholesta-5,22,24-trien-20-ol |
| Alternate Name(s) | (3beta,22E)-24-(phenylsulfanyl)-3-(tetrahydro-2H-pyran-2-yloxy)cholesta-5,22,24-trien-20-ol |
| CAS Registry Number | 84051-51-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C38H54O3S |
| InChI | InChI=1S/C38H54O3S/c1-26(2)33(42-29-11-7-6-8-12-29)20-23-38(5,39)34-17-16-31-30-15-14-27-25-28(41-35-13-9-10-24-40-35)18-21-36(27,3)32(30)19-22-37(31,34)4/h6-8,11-12,14,20,23,28,30-32,34-35,39H,9-10,13,15-19,21-22,24-25H2,1-5H3/b23-20+/t28-,30-,31-,32-,34-,35?,36-,37-,38-/m0/s1 |
| InChIKey | PSVHUJFGJWCABO-JFQZQNGFSA-N |
| Molecular Weight | 590.907 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@](OC2OCCCC2)(C4)[H])C)[H])(CC1)[H])C)[H])C |
| SPLASH | splash10-000i-9020110000-1726b17b886215be1f0e |
| Source of Spectrum | J-49-1088-0 |
| Wiley ID | 1409379 |