| SpectraBase Spectrum ID |
73ucOSEkHzc |
| Name |
3.alpha.-Hydroxy-6-thia-5.alpha.pregnan-20-one |
| Alternate Name(s) |
1-[(1S,5aS,7R,9aR,9bS,11aS)-7-hydroxy-9a,11a-dimethylhexadecahydroindeno[4,5-c][1]benzothiopyran-1-yl]ethanone |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H32O2S |
| InChI |
InChI=1S/C20H32O2S/c1-12(21)15-4-5-16-14-11-23-18-10-13(22)6-8-20(18,3)17(14)7-9-19(15,16)2/h13-18,22H,4-11H2,1-3H3/t13-,14?,15-,16?,17+,18+,19-,20-/m1/s1 |
| InChIKey |
HXUJEBLRTFZABH-WQDMCENZSA-N |
| Molecular Weight |
336.534 g/mol |
| SMILES |
O[C@@]1(CC[C@@]2([C@]3(CC[C@]4(C(C3CS[C@]2(C1)[H])CC[C@@]4(C(=O)C)[H])C)[H])C)[H] |
| SPLASH |
splash10-014r-0019000000-47ef06d68322aab4fb0b |
| Source of Spectrum |
F-62-4767-6 |
| Wiley ID |
1633329 |
