| SpectraBase Spectrum ID |
6xCo0yjzUUt |
| Name |
3-Methoxy-N-(phenylthio)-16-aza-1,3,5,(10)-estratrien-17-one |
| CAS Registry Number |
114462-33-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H27NO2S |
| InChI |
InChI=1S/C24H27NO2S/c1-24-13-12-20-19-11-9-17(27-2)14-16(19)8-10-21(20)22(24)15-25(23(24)26)28-18-6-4-3-5-7-18/h3-7,9,11,14,20-22H,8,10,12-13,15H2,1-2H3/t20-,21-,22+,24+/m1/s1 |
| InChIKey |
WDGFPAIZASLHKW-SVPADUAOSA-N |
| Molecular Weight |
393.545 g/mol |
| SMILES |
C1(N(C[C@]2([C@]3([C@](CC[C@]12C)(c1ccc(cc1CC3)OC)[H])[H])[H])Sc1ccccc1)=O |
| SPLASH |
splash10-0btc-0923000000-85064c53cbb0060c2e7d |
| Source of Spectrum |
J-54-1909-13 |
| Synonyms |
(3aS,3bR,9bS,11aS)-7-methoxy-11a-methyl-2-(phenylsulfanyl)-2,3,3a,3b,4,5,9b,10,11,11a-decahydro-1H-naphtho[2,1-e]isoindol-1-one |
| Wiley ID |
1366326 |
