| SpectraBase Spectrum ID |
KMrC35Yaxlc |
| Name |
3.beta.-Hydroxy-19-formyloxy-6-thia-5.alpha.pregnan-20-one |
| Alternate Name(s) |
((1S,5aS,7S,9aR,11aS)-1-acetyl-7-hydroxy-11a-methyltetradecahydroindeno[4,5-c][1]benzothiopyran-9a(5aH)-yl)methyl formate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H32O4S |
| InChI |
InChI=1S/C21H32O4S/c1-13(23)16-3-4-17-15-10-26-19-9-14(24)5-8-21(19,11-25-12-22)18(15)6-7-20(16,17)2/h12,14-19,24H,3-11H2,1-2H3/t14-,15?,16+,17?,18?,19-,20+,21-/m0/s1 |
| InChIKey |
ZBUWCUCVHPWRPX-OMGFUTIJSA-N |
| Molecular Weight |
380.543 g/mol |
| SMILES |
O[C@]1(CC[C@@]2(C3C(C4CC[C@@]([C@]4(CC3)C)(C(=O)C)[H])CS[C@]2(C1)[H])COC=O)[H] |
| SPLASH |
splash10-005c-9004000000-ee1e53f99ad48e621446 |
| Source of Spectrum |
F-62-4766-12 |
| Wiley ID |
1633331 |
