| SpectraBase Spectrum ID |
DaS9STua2dP |
| Name |
17.alpha.-(3,3-Bisethoxyprop-1-ynyl)estra-1,3,5(10)-trien-3,17.beta.-diol |
| Alternate Name(s) |
(17beta)-17-(3,3-diethoxy-1-propynyl)estra-1,3,5(10)-triene-3,17-diol
17.alpha.-(Bisethoxyethynyl)estra-1,3,5(10)-trien-3,17.beta.-diol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H34O4 |
| InChI |
InChI=1S/C25H34O4/c1-4-28-23(29-5-2)12-15-25(27)14-11-22-21-8-6-17-16-18(26)7-9-19(17)20(21)10-13-24(22,25)3/h7,9,16,20-23,26-27H,4-6,8,10-11,13-14H2,1-3H3/t20-,21-,22+,24+,25-/m1/s1 |
| InChIKey |
OBAMEFBBXXKSOB-FQFZUICKSA-N |
| Molecular Weight |
398.543 g/mol |
| SMILES |
Oc1ccc2c(CC[C@]3([C@]4([C@@]([C@](C#CC(OCC)OCC)(CC4)O)(CC[C@]23[H])C)[H])[H])c1 |
| SPLASH |
splash10-0udj-0009000000-58e2fe07192415865f22 |
| Source of Spectrum |
QF-8-5248-15 |
| Wiley ID |
1558064 |
