| SpectraBase Spectrum ID |
7QWxzqGtynt |
| Name |
3.alpha.-Benzoyloxy-19-hydroxy-6-thia-5.alpha.pregnan-20-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H36O4S |
| InChI |
InChI=1S/C27H36O4S/c1-17(29)21-8-9-22-20-15-32-24-14-19(31-25(30)18-6-4-3-5-7-18)10-13-27(24,16-28)23(20)11-12-26(21,22)2/h3-7,19-24,28H,8-16H2,1-2H3/t19-,20+,21-,22+,23+,24+,26-,27+/m1/s1 |
| InChIKey |
CZKDQIISIDWDQG-RBHNFZQLSA-N |
| Molecular Weight |
456.641 g/mol |
| SMILES |
OC[C@]12[C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)(C(=O)C)[H])[H])([H])CS[C@]2(C[C@](OC(=O)c2ccccc2)(CC1)[H])[H])[H] |
| SPLASH |
splash10-0kai-0309100000-ffc099db8589490baf3a |
| Source of Spectrum |
F-62-4767-13 |
| Synonyms |
(1S,3aS,3bS,5aS,7R,9aR,9bS,11aS)-1-acetyl-9a-(hydroxymethyl)-11a-methylhexadecahydroindeno[4,5-c][1]benzothiopyran-7-yl benzoate |
| Wiley ID |
1633330 |
