| SpectraBase Spectrum ID |
DyqsRSuYG1k |
| Name |
17.alpha.-Allyl-3-O-methylestra-1,3,5(10),15-tetraen-17.beta.-ol |
| Appearance |
Colorless solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H28O2 |
| InChI |
InChI=1S/C22H28O2/c1-4-11-22(23)13-10-20-19-7-5-15-14-16(24-3)6-8-17(15)18(19)9-12-21(20,22)2/h4,6,8,10,13-14,18-20,23H,1,5,7,9,11-12H2,2-3H3/t18-,19-,20+,21+,22+/m1/s1 |
| InChIKey |
MQEUAICSXGVXLM-AANPDWTMSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201916188 |
| Molecular Weight |
324.464 g/mol |
| Optical Rotation |
[a]D20 = -74.6 (589 nm) (c = 0.29, CHCl3) |
| Reported Formula |
C22H28O2 |
| SMILES |
O[C@]1(CC=C)[C@]2(CC[C@@]3(c4ccc(cc4CC[C@]3([C@@]2(C=C1)[H])[H])OC)[H])C |
| SPLASH |
splash10-052r-0934000000-2a52d2e1ab61d3d85c41 |
| Source of Spectrum |
ACI-59-SM19-3p |
| Thin-Layer Chromatography |
Rf = 0.25 (hexanes/EtOAc, 10:1) |
| Wiley ID |
1860355 |
