| SpectraBase Spectrum ID |
JghoxmOEXZm |
| Name |
Estra-1,3,5(10)-trien-17-one, 3-methoxy-16-(phenylthio)- |
| Alternate Name(s) |
16-(phenylthio)estrone methyl ether
3-Methoxy-16-(phenylsulfanyl)estra-1,3,5(10)-trien-17-one |
| CAS Registry Number |
57707-93-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H28O2S |
| InChI |
InChI=1S/C25H28O2S/c1-25-13-12-20-19-11-9-17(27-2)14-16(19)8-10-21(20)22(25)15-23(24(25)26)28-18-6-4-3-5-7-18/h3-7,9,11,14,20-23H,8,10,12-13,15H2,1-2H3/t20-,21-,22+,23?,25+/m1/s1 |
| InChIKey |
MRNCAIJFGSHNOU-ZZDGKJOTSA-N |
| Molecular Weight |
392.557 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(OC)c4)[H])(CC(C1=O)Sc1ccccc1)[H])C |
| SPLASH |
splash10-00bc-1976000000-fd02176e10e89317350b |
| Source of Spectrum |
C-98-4899-0 |
| Wiley ID |
1366001 |
