![2,4'-BIS-[ESTRA-1,3,5(10)-TRIEN-3,17-BETA-DIOL]](/api/spectrum/9V5AyphCkPu/structure.png?h=300&w=458 "2,4'-BIS-[ESTRA-1,3,5(10)-TRIEN-3,17-BETA-DIOL]")
| SpectraBase Compound ID | COFTifMpXec |
|---|---|
| InChI | InChI=1S/C36H46O4/c1-35-15-13-21-20-7-10-30(37)34(25(20)6-5-24(21)29(35)9-12-32(35)39)27-18-26-19(17-31(27)38)3-4-23-22(26)14-16-36(2)28(23)8-11-33(36)40/h7,10,17-18,21-24,28-29,32-33,37-40H,3-6,8-9,11-16H2,1-2H3/t21-,22-,23+,24-,28-,29+,32+,33-,35+,36-/m1/s1 |
| InChIKey | ACFVXDXZLPLRGL-ROJNBWJPSA-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 | 9V5AyphCkPu |
|---|---|
| Name | 2,4'-BIS-[ESTRA-1,3,5(10)-TRIEN-3,17-BETA-DIOL] |
| Compound Number | 4A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H46O4 |
| InChI | InChI=1S/C36H46O4/c1-35-15-13-21-20-7-10-30(37)34(25(20)6-5-24(21)29(35)9-12-32(35)39)27-18-26-19(17-31(27)38)3-4-23-22(26)14-16-36(2)28(23)8-11-33(36)40/h7,10,17-18,21-24,28-29,32-33,37-40H,3-6,8-9,11-16H2,1-2H3/t21-,22-,23+,24-,28-,29+,32+,33-,35+,36-/m1/s1 |
| InChIKey | ACFVXDXZLPLRGL-ROJNBWJPSA-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 | UWVN22303 |