| SpectraBase Spectrum ID |
4QGQor5H1Ki |
| Name |
3.beta.,19-Dihydroxy-21-methylthiopregna-5,14-dien-20-one |
| CAS Registry Number |
67270-91-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H32O3S |
| InChI |
InChI=1S/C22H32O3S/c1-21-9-8-18-16(17(21)5-6-19(21)20(25)12-26-2)4-3-14-11-15(24)7-10-22(14,18)13-23/h3,5,15-16,18-19,23-24H,4,6-13H2,1-2H3/t15-,16-,18-,19+,21-,22+/m0/s1 |
| InChIKey |
QKJDLACIPDPOCN-OCGZXGEUSA-N |
| Molecular Weight |
376.555 g/mol |
| SMILES |
O[C@@]1(CC2=CC[C@@]3([C@@]([C@@]2(CO)CC1)(CC[C@]1(C3=CC[C@@]1(C(=O)CSC)[H])C)[H])[H])[H] |
| SPLASH |
splash10-002r-0049000000-3047be823136510ae0a5 |
| Source of Spectrum |
J-43-3948-0 |
| Synonyms |
(3beta)-3,19-dihydroxy-21-(methylsulfanyl)pregna-5,14-dien-20-one |
| Wiley ID |
1357847 |
