SpectraBase Spectrum ID |
K3FXBNcAlcl |
Name |
Estrane, ethanone deriv. |
Alternate Name(s) |
Ethanone, 1-[(17.beta.)-17-hydroxy-3-(2-methoxyethoxy)estra-1,3,5(10)-trien-2-yl]-
1-[(17beta)-17-hydroxy-3-(2-methoxyethoxy)estra-1,3,5(10)-trien-2-yl]ethanone
2-Acetylestra-1,3,5(10)-triene-3,17.beta.-diol-3-methoxyethyl ether |
CAS Registry Number |
119829-56-0 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C23H32O4 |
InChI |
InChI=1S/C23H32O4/c1-14(24)18-13-19-15(12-21(18)27-11-10-26-3)4-5-17-16(19)8-9-23(2)20(17)6-7-22(23)25/h12-13,16-17,20,22,25H,4-11H2,1-3H3/t16?,17?,20?,22-,23-/m0/s1 |
InChIKey |
AGSMIBVCETUGSG-SNGPAJCISA-N |
Molecular Weight |
372.505 g/mol |
SMILES |
O[C@@]1([C@@]2(C(C3CCc4c(C3CC2)cc(C(=O)C)c(c4)OCCOC)CC1)C)[H] |
SPLASH |
splash10-0ab9-8019000000-41437121c0f68ad227d5 |
Source of Spectrum |
B-41-1146-3 |
Wiley ID |
1355728 |