| SpectraBase Spectrum ID |
JpBw4onakEw |
| Name |
3-(Benzyloxy)-17.beta.-hydroxyestra-1,3,5(10)-trien-12-one |
| Alternate Name(s) |
(17beta)-3-(benzyloxy)-17-hydroxyestra-1,3,5(10)-trien-12-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H28O3 |
| InChI |
InChI=1S/C25H28O3/c1-25-22(11-12-23(25)26)20-9-7-17-13-18(28-15-16-5-3-2-4-6-16)8-10-19(17)21(20)14-24(25)27/h2-6,8,10,13,20-23,26H,7,9,11-12,14-15H2,1H3/t20-,21-,22+,23+,25+/m1/s1 |
| InChIKey |
ANPUDJOQNABSMX-BZDYCCQFSA-N |
| Molecular Weight |
376.496 g/mol |
| SMILES |
O[C@]1(CC[C@]2([C@@]3(CCc4cc(ccc4[C@]3(CC([C@]12C)=O)[H])OCc1ccccc1)[H])[H])[H] |
| SPLASH |
splash10-0006-9100000000-093e332a59b554ab19a6 |
| Source of Spectrum |
B-51-359-13 |
| Wiley ID |
746139 |
