| SpectraBase Compound ID | 7qQvMcmhnR4 |
|---|---|
| InChI | InChI=1S/C43H58O9/c1-38-15-9-27(44)21-25(38)5-7-29-31(38)11-17-40(3)33(29)13-19-42(40,49)35(46)23-51-37(48)52-24-36(47)43(50)20-14-34-30-8-6-26-22-28(45)10-16-39(26,2)32(30)12-18-41(34,43)4/h21-22,29-34,49-50H,5-20,23-24H2,1-4H3/t29-,30-,31+,32+,33+,34+,38+,39+,40+,41+,42+,43+/m1/s1 |
| InChIKey | XBHOFNFNCADZGT-DMQXLMBYSA-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 | H8AsoNwJndF |
|---|---|
| Name | 17, 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/c1-38-15-9-27(44)21-25(38)5-7-29-31(38)11-17-40(3)33(29)13-19-42(40,49)35(46)23-51-37(48)52-24-36(47)43(50)20-14-34-30-8-6-26-22-28(45)10-16-39(26,2)32(30)12-18-41(34,43)4/h21-22,29-34,49-50H,5-20,23-24H2,1-4H3/t29-,30-,31+,32+,33+,34+,38+,39+,40+,41+,42+,43+/m1/s1 |
| InChIKey | XBHOFNFNCADZGT-DMQXLMBYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 41717M |
| Solvent | CDCl3 |