![4-[[(17-BETA)-17-HYDROXY-19-NORPREGNA-1,3,5(10)-TRIEN-3-YL]-OXY]-ESTRA-1,3,5(10)-TRIEN-3,17-BETA-DIOL](/api/spectrum/6Hyd203Ap1k/structure.png?h=300&w=458 "4-[[(17-BETA)-17-HYDROXY-19-NORPREGNA-1,3,5(10)-TRIEN-3-YL]-OXY]-ESTRA-1,3,5(10)-TRIEN-3,17-BETA-DIOL")
| SpectraBase Compound ID | 73JPF21YbZy |
|---|---|
| InChI | InChI=1S/C36H46O4/c1-35-17-15-24-22-6-4-21(19-20(22)3-5-26(24)29(35)10-13-32(35)38)40-34-28-8-7-27-25(23(28)9-12-31(34)37)16-18-36(2)30(27)11-14-33(36)39/h4,6,9,12,19,24-27,29-30,32-33,37-39H,3,5,7-8,10-11,13-18H2,1-2H3/t24-,25+,26-,27+,29+,30-,32+,33-,35+,36-/m0/s1 |
| InChIKey | WAIQIVGUFKYAJA-UIUAFVQOSA-N |
| Mol Weight | 542.8 g/mol |
| Molecular Formula | C36H46O4 |
| Exact Mass | 542.33961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Hyd203Ap1k |
|---|---|
| Name | 4-[[(17-BETA)-17-HYDROXY-19-NORPREGNA-1,3,5(10)-TRIEN-3-YL]-OXY]-ESTRA-1,3,5(10)-TRIEN-3,17-BETA-DIOL |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H46O4 |
| InChI | InChI=1S/C36H46O4/c1-35-17-15-24-22-6-4-21(19-20(22)3-5-26(24)29(35)10-13-32(35)38)40-34-28-8-7-27-25(23(28)9-12-31(34)37)16-18-36(2)30(27)11-14-33(36)39/h4,6,9,12,19,24-27,29-30,32-33,37-39H,3,5,7-8,10-11,13-18H2,1-2H3/t24-,25+,26-,27+,29+,30-,32+,33-,35+,36-/m0/s1 |
| InChIKey | WAIQIVGUFKYAJA-UIUAFVQOSA-N |
| Literature Reference Author | A.PEZZELLA,L.LISTA,A.NAPOLITANO,M.DISCHIA |
| Literature Reference Citation | J.ORG.CHEM.,69,5652(2004) |
| Literature Reference DOI | 10.1021/jo0492665 |
| Molecular Weight | 542.759 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN22305 |