![(3.beta.,20S,22E,24S)-24-(Phenylthio)-3-[(tetrahydro-2H-pyran-2-yl)oxy]cholesta-5,22-dien-20-ol](/api/spectrum/FZUsEtMUCx0/structure.png?h=300&w=458 "(3.beta.,20S,22E,24S)-24-(Phenylthio)-3-[(tetrahydro-2H-pyran-2-yl)oxy]cholesta-5,22-dien-20-ol")
| SpectraBase Compound ID | 4nKkX1PgbgK |
|---|---|
| InChI | InChI=1S/C38H56O3S/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/h6-8,11-12,14,20,23,26,28,30-35,39H,9-10,13,15-19,21-22,24-25H2,1-5H3/b23-20+/t28-,30-,31-,32-,33+,34-,35?,36-,37-,38-/m0/s1 |
| InChIKey | VZGHHJACTPIVGK-KIGJIYGKSA-N |
| Mol Weight | 592.9 g/mol |
| Molecular Formula | C38H56O3S |
| Exact Mass | 592.395017 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FZUsEtMUCx0 |
|---|---|
| Name | (3.beta.,20S,22E,24S)-24-(Phenylthio)-3-[(tetrahydro-2H-pyran-2-yl)oxy]cholesta-5,22-dien-20-ol |
| CAS Registry Number | 79409-83-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C38H56O3S |
| InChI | InChI=1S/C38H56O3S/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/h6-8,11-12,14,20,23,26,28,30-35,39H,9-10,13,15-19,21-22,24-25H2,1-5H3/b23-20+/t28-,30-,31-,32-,33+,34-,35?,36-,37-,38-/m0/s1 |
| InChIKey | VZGHHJACTPIVGK-KIGJIYGKSA-N |
| Molecular Weight | 592.923 g/mol |
| SMILES | O[C@@](\C=C\[C@@](Sc1ccccc1)(C(C)C)[H])([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 | splash10-00di-9010100000-39b157d69ecedc408b67 |
| Source of Spectrum | J-46-5187-0 |
| Synonyms | (3beta,22E,24S)-24-(phenylsulfanyl)-3-(tetrahydro-2H-pyran-2-yloxy)cholesta-5,22-dien-20-ol |
| Wiley ID | 1409536 |