| SpectraBase Compound ID | 3lKe7s8A1rY |
|---|---|
| InChI | InChI=1S/C43H62O5/c1-40-21-15-37-33(9-5-29-25-31(44)13-19-42(29,37)3)35(40)11-7-27(40)17-23-47-39(46)48-24-18-28-8-12-36-34-10-6-30-26-32(45)14-20-43(30,4)38(34)16-22-41(28,36)2/h25-28,33-38H,5-24H2,1-4H3/t27-,28-,33+,34+,35+,36+,37+,38+,40-,41-,42+,43+/m1/s1 |
| InChIKey | YBRJVUGNFUZYRO-JACKJDOSSA-N |
| Mol Weight | 659.0 g/mol |
| Molecular Formula | C43H62O5 |
| Exact Mass | 658.459725 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AQufWjignWv |
|---|---|
| Name | 21-Hydroxypregn-4-en-3-one, carbonate (2:1) |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C43H62O5 |
| InChI | InChI=1S/C43H62O5/c1-40-21-15-37-33(9-5-29-25-31(44)13-19-42(29,37)3)35(40)11-7-27(40)17-23-47-39(46)48-24-18-28-8-12-36-34-10-6-30-26-32(45)14-20-43(30,4)38(34)16-22-41(28,36)2/h25-28,33-38H,5-24H2,1-4H3/t27-,28-,33+,34+,35+,36+,37+,38+,40-,41-,42+,43+/m1/s1 |
| InChIKey | YBRJVUGNFUZYRO-JACKJDOSSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 41719M |
| Solvent | CDCl3 |