![4,4'-BIS-[ESTRA-1,3,5(10)-TRIEN-3,17-BETA-DIOL]](/api/spectrum/AP5u1qHVSvL/structure.png?h=300&w=458 "4,4'-BIS-[ESTRA-1,3,5(10)-TRIEN-3,17-BETA-DIOL]")
| SpectraBase Compound ID | GR6lPXWq0DL |
|---|---|
| InChI | InChI=1S/C36H46O4/c1-35-17-15-21-19-7-11-29(37)33(25(19)5-3-23(21)27(35)9-13-31(35)39)34-26-6-4-24-22(20(26)8-12-30(34)38)16-18-36(2)28(24)10-14-32(36)40/h7-8,11-12,21-24,27-28,31-32,37-40H,3-6,9-10,13-18H2,1-2H3/t21-,22-,23-,24-,27+,28+,31+,32+,35+,36+/m1/s1 |
| InChIKey | HSARRPZTJZSCSR-YSBCBWRWSA-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 | AP5u1qHVSvL |
|---|---|
| Name | 4,4'-BIS-[ESTRA-1,3,5(10)-TRIEN-3,17-BETA-DIOL] |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H46O4 |
| InChI | InChI=1S/C36H46O4/c1-35-17-15-21-19-7-11-29(37)33(25(19)5-3-23(21)27(35)9-13-31(35)39)34-26-6-4-24-22(20(26)8-12-30(34)38)16-18-36(2)28(24)10-14-32(36)40/h7-8,11-12,21-24,27-28,31-32,37-40H,3-6,9-10,13-18H2,1-2H3/t21-,22-,23-,24-,27+,28+,31+,32+,35+,36+/m1/s1 |
| InChIKey | HSARRPZTJZSCSR-YSBCBWRWSA-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 | UWVN22302 |