| SpectraBase Spectrum ID |
EaVI9tjjopl |
| Name |
3-Methoxy-N-(phenylthio)-17-aza-d-homo-1,3,5,(10)-estratrien-17a-one |
| Alternate Name(s) |
(4aS,4bR,10bS,12aS)-8-methoxy-12a-methyl-2-(phenylsulfanyl)-3,4,4a,4b,5,6,10b,11,12,12a-decahydronaphtho[2,1-f]isoquinolin-1(2H)-one |
| CAS Registry Number |
114462-34-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H29NO2S |
| InChI |
InChI=1S/C25H29NO2S/c1-25-14-12-21-20-11-9-18(28-2)16-17(20)8-10-22(21)23(25)13-15-26(24(25)27)29-19-6-4-3-5-7-19/h3-7,9,11,16,21-23H,8,10,12-15H2,1-2H3/t21-,22-,23+,25+/m1/s1 |
| InChIKey |
PPQBTVHZVRCBFW-AHCIIZGASA-N |
| Molecular Weight |
407.572 g/mol |
| SMILES |
[C@]12(C(N(Sc3ccccc3)CC[C@]1([C@@]1(CCc3c([C@]1(CC2)[H])ccc(OC)c3)[H])[H])=O)C |
| SPLASH |
splash10-0a4i-0900400000-09e5c293e556da66a31a |
| Source of Spectrum |
J-54-1909-16 |
| Wiley ID |
1372627 |
