![3-METHOXY-16-ALPHA-[3-METHOXY-17-OXOESTRA-1,3,5(10)-TRIEN-15-BETA-YL]-15-BETA-METHYL-ESTRA-1,3,5(10)-TRIEN-17-ONE](/api/spectrum/BtQNH9objia/structure.png?h=300&w=458 "3-METHOXY-16-ALPHA-[3-METHOXY-17-OXOESTRA-1,3,5(10)-TRIEN-15-BETA-YL]-15-BETA-METHYL-ESTRA-1,3,5(10)-TRIEN-17-ONE")
| SpectraBase Compound ID | 5E0pPHLv8q4 |
|---|---|
| InChI | InChI=1S/C39H48O4/c1-21-34(37(41)39(3)17-15-29-27-13-9-25(43-5)19-23(27)7-11-31(29)35(21)39)32-20-33-30-10-6-22-18-24(42-4)8-12-26(22)28(30)14-16-38(33,2)36(32)40/h8-9,12-13,18-19,21,28-35H,6-7,10-11,14-17,20H2,1-5H3/t21-,28-,29-,30-,31-,32-,33+,34+,35+,38+,39+/m1/s1 |
| InChIKey | QKEWAYDJFJVNNN-RKBAKRQASA-N |
| Mol Weight | 580.8 g/mol |
| Molecular Formula | C39H48O4 |
| Exact Mass | 580.35526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BtQNH9objia |
|---|---|
| Name | 3-METHOXY-16-ALPHA-[3-METHOXY-17-OXOESTRA-1,3,5(10)-TRIEN-15-BETA-YL]-15-BETA-METHYL-ESTRA-1,3,5(10)-TRIEN-17-ONE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H48O4 |
| InChI | InChI=1S/C39H48O4/c1-21-34(37(41)39(3)17-15-29-27-13-9-25(43-5)19-23(27)7-11-31(29)35(21)39)32-20-33-30-10-6-22-18-24(42-4)8-12-26(22)28(30)14-16-38(33,2)36(32)40/h8-9,12-13,18-19,21,28-35H,6-7,10-11,14-17,20H2,1-5H3/t21-,28-,29-,30-,31-,32-,33+,34+,35+,38+,39+/m1/s1 |
| InChIKey | QKEWAYDJFJVNNN-RKBAKRQASA-N |
| Literature Reference Author | J.R.BULL,M.C.LOEDOLFF |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,1269(1996) |
| Literature Reference DOI | 10.1039/p19960001269 |
| Molecular Weight | 580.808 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS20672 |