| SpectraBase Spectrum ID |
2IsZrDMgvHw |
| Name |
21-Butyl-3-methoxy-19-nor-pregna-1,3,5(10),14,16-pentaen-20-one |
| Alternate Name(s) |
1-[3-methoxyestra-1,3,5(10),14,16-pentaen-17-yl]-1-hexanone |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H32O2 |
| InChI |
InChI=1S/C25H32O2/c1-4-5-6-7-24(26)23-13-12-22-21-10-8-17-16-18(27-3)9-11-19(17)20(21)14-15-25(22,23)2/h9,11-13,16,20-21H,4-8,10,14-15H2,1-3H3/t20-,21-,25+/m1/s1 |
| InChIKey |
JAPQVMADRBQFIX-OTPAQWSUSA-N |
| Molecular Weight |
364.529 g/mol |
| SMILES |
[C@@]12(C([C@@]3(CCc4c([C@]3(CC2)[H])ccc(OC)c4)[H])=CC=C1C(=O)CCCCC)C |
| SPLASH |
splash10-029i-0926000000-d7a06689cc8fc38a3d04 |
| Source of Spectrum |
OV-6-219-5 |
| Wiley ID |
1547649 |
