| SpectraBase Spectrum ID |
1wT35gHuzh3 |
| Name |
Ethyl (E)-(1R*,4aS*,10S*,10aS*)-1-Ethyl-10-hydroxy-7-methoxy-3,4,4a,9,10,10a-hexahydrophenanthren-2(1H)-ylideneacetate |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H28O4 |
| InChI |
InChI=1S/C21H28O4/c1-4-16-13(12-20(23)25-5-2)6-8-18-17-9-7-15(24-3)10-14(17)11-19(22)21(16)18/h7,9-10,12,16,18-19,21-22H,4-6,8,11H2,1-3H3/b13-12+/t16-,18+,19-,21-/m0/s1 |
| InChIKey |
UIRUNQDCXQQINX-RUORYLSVSA-N |
| Molecular Weight |
344.451 g/mol |
| SMILES |
O[C@@]1([C@@]2([C@@](c3c(C1)cc(cc3)OC)(CC\C(=C/C(=O)OCC)[C@@]2(CC)[H])[H])[H])[H] |
| SPLASH |
splash10-00di-0941000000-1d8a6d331abbf06fe004 |
| Source of Spectrum |
F-47-7976-8 |
| Synonyms |
Ethyl (2E)-((1R,4aS,10S,10aS)-1-ethyl-10-hydroxy-7-methoxy-3,4,4a,9,10,10a-hexahydro-2(1H)-phenanthrenylidene)ethanoate |
| Wiley ID |
1338138 |
