| SpectraBase Spectrum ID |
AFRYlJsbIQ1 |
| Name |
N-butyl,N-methyl-13-(3',17'.beta.-dihydroxy-1',3',5'(10')-estratrien-15'(.alpha.,beta.)-yl)-tridecamide |
| Alternate Name(s) |
N-butyl-13-[(14beta,17beta)-3,17-dihydroxyestra-1,3,5(10)-trien-15-yl]-N-methyltridecanamide |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C36H59NO3 |
| InChI |
InChI=1S/C36H59NO3/c1-4-5-24-37(3)34(40)17-15-13-11-9-7-6-8-10-12-14-16-28-26-33(39)36(2)23-22-31-30-21-19-29(38)25-27(30)18-20-32(31)35(28)36/h19,21,25,28,31-33,35,38-39H,4-18,20,22-24,26H2,1-3H3/t28?,31-,32-,33+,35-,36-/m1/s1 |
| InChIKey |
LCJHSLUCGSOKCZ-ROTXAEPQSA-N |
| Molecular Weight |
553.872 g/mol |
| SMILES |
Oc1ccc2c(CC[C@]3([C@@]4([C@@]([C@](CC4CCCCCCCCCCCCC(N(CCCC)C)=O)(O)[H])(CC[C@]23[H])C)[H])[H])c1 |
| SPLASH |
splash10-01p9-7707090000-2528f797a288663b454a |
| Source of Spectrum |
F-47-7764-7 |
| Wiley ID |
1406100 |
