![(3.beta.,20E,23Z)-24-(Phenylthio)-3-[(tetrahydro-2H-pyran-2-yl)oxy]cholesta-5,20(22),23-triene-25-ol](/api/spectrum/LL9iF4kJEG6/structure.png?h=300&w=458 "(3.beta.,20E,23Z)-24-(Phenylthio)-3-[(tetrahydro-2H-pyran-2-yl)oxy]cholesta-5,20(22),23-triene-25-ol")
| SpectraBase Compound ID | 77VznMmuLjS |
|---|---|
| InChI | InChI=1S/C38H54O3S/c1-26(14-19-34(36(2,3)39)42-29-11-7-6-8-12-29)31-17-18-32-30-16-15-27-25-28(41-35-13-9-10-24-40-35)20-22-37(27,4)33(30)21-23-38(31,32)5/h6-8,11-12,14-15,19,28,30-33,35,39H,9-10,13,16-18,20-25H2,1-5H3/b26-14+,34-19-/t28-,30-,31+,32-,33-,35?,37-,38+/m0/s1 |
| InChIKey | UAPCAKXBLLKCNY-YCNNDREDSA-N |
| Mol Weight | 590.9 g/mol |
| Molecular Formula | C38H54O3S |
| Exact Mass | 590.379367 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LL9iF4kJEG6 |
|---|---|
| Name | (3.beta.,20E,23Z)-24-(Phenylthio)-3-[(tetrahydro-2H-pyran-2-yl)oxy]cholesta-5,20(22),23-triene-25-ol |
| CAS Registry Number | 84051-55-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C38H54O3S |
| InChI | InChI=1S/C38H54O3S/c1-26(14-19-34(36(2,3)39)42-29-11-7-6-8-12-29)31-17-18-32-30-16-15-27-25-28(41-35-13-9-10-24-40-35)20-22-37(27,4)33(30)21-23-38(31,32)5/h6-8,11-12,14-15,19,28,30-33,35,39H,9-10,13,16-18,20-25H2,1-5H3/b26-14+,34-19-/t28-,30-,31+,32-,33-,35?,37-,38+/m0/s1 |
| InChIKey | UAPCAKXBLLKCNY-YCNNDREDSA-N |
| Molecular Weight | 590.907 g/mol |
| SMILES | OC(\C(=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)Sc1ccccc1)(C)C |
| SPLASH | splash10-000i-9000340000-930076480fbeab985d53 |
| Source of Spectrum | J-49-1089-0 |
| Synonyms | (3beta,20E,23Z)-24-(phenylsulfanyl)-3-(tetrahydro-2H-pyran-2-yloxy)cholesta-5,20(22),23-trien-25-ol |
| Wiley ID | 1409380 |