| SpectraBase Compound ID | HasvPD3U0sm |
|---|---|
| InChI | InChI=1S/C43H58O9/c1-40-15-13-25(44)17-23(40)5-7-27-29-9-11-31(42(29,3)19-33(46)37(27)40)35(48)21-51-39(50)52-22-36(49)32-12-10-30-28-8-6-24-18-26(45)14-16-41(24,2)38(28)34(47)20-43(30,32)4/h17-18,27-34,37-38,46-47H,5-16,19-22H2,1-4H3/t27-,28-,29-,30-,31+,32+,33-,34-,37+,38+,40-,41-,42-,43-/m0/s1 |
| InChIKey | IIBRRACIEBUSQH-OYCKEFTJSA-N |
| Mol Weight | 718.9 g/mol |
| Molecular Formula | C43H58O9 |
| Exact Mass | 718.408083 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CSlyBFknF03 |
|---|---|
| Name | 11β,21-dihydroxypregn-4-ene-3,20-dione, 21-carbonate (2:1) |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C43H58O9 |
| InChI | InChI=1S/C43H58O9/c1-40-15-13-25(44)17-23(40)5-7-27-29-9-11-31(42(29,3)19-33(46)37(27)40)35(48)21-51-39(50)52-22-36(49)32-12-10-30-28-8-6-24-18-26(45)14-16-41(24,2)38(28)34(47)20-43(30,32)4/h17-18,27-34,37-38,46-47H,5-16,19-22H2,1-4H3/t27-,28-,29-,30-,31+,32+,33-,34-,37+,38+,40-,41-,42-,43-/m0/s1 |
| InChIKey | IIBRRACIEBUSQH-OYCKEFTJSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 41718M |
| Solvent | CDCl3 |