| SpectraBase Spectrum ID |
1AZFYiswuz8 |
| Name |
S-Phenyl(3.beta.,20S,22E)-20-hydroxy-3-methoxychola-5,22-diene-24-thioate |
| Alternate Name(s) |
S-phenyl (3beta,22E)-2-hydroxy-3-methoxychola-5,22-diene-24-thioate |
| CAS Registry Number |
83862-55-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H42O3S |
| InChI |
InChI=1S/C31H42O3S/c1-20(10-15-29(33)35-22-8-6-5-7-9-22)24-13-14-25-23-12-11-21-18-28(34-4)27(32)19-31(21,3)26(23)16-17-30(24,25)2/h5-11,15,20,23-28,32H,12-14,16-19H2,1-4H3/b15-10+/t20-,23?,24-,25?,26+,27?,28-,30-,31+/m1/s1 |
| InChIKey |
CIJHOOGSWDLKMG-DVGQADHDSA-N |
| Molecular Weight |
494.734 g/mol |
| SMILES |
OC1C[C@]2(C(=CCC3C4CC[C@@]([C@]4(CC[C@]23[H])C)([C@@](\C=C\C(Sc2ccccc2)=O)(C)[H])[H])C[C@]1(OC)[H])C |
| SPLASH |
splash10-0pds-0917000000-482040a4d40ce1d9e527 |
| Source of Spectrum |
J-48-37-0 |
| Wiley ID |
1397985 |
