| SpectraBase Compound ID | 7LPPOrWp7sr |
|---|---|
| InChI | InChI=1S/C22H36O5/c1-21-9-8-13(23)10-12(21)4-5-14-15-6-7-16(19(25)20(26)27-3)22(15,2)11-17(24)18(14)21/h12-19,23-25H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19+,21+,22+/m1/s1 |
| InChIKey | OBUKYNCNXLYTFD-HTOMHKGFSA-N |
| Mol Weight | 380.5 g/mol |
| Molecular Formula | C22H36O5 |
| Exact Mass | 380.256274 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DenQxqoksvr |
|---|---|
| Name | 3α,11β,20β-trihydroxy-5β-pregnan-21-oic acid, methyl ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H36O5 |
| InChI | InChI=1S/C22H36O5/c1-21-9-8-13(23)10-12(21)4-5-14-15-6-7-16(19(25)20(26)27-3)22(15,2)11-17(24)18(14)21/h12-19,23-25H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19+,21+,22+/m1/s1 |
| InChIKey | OBUKYNCNXLYTFD-HTOMHKGFSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 39935M |
| Solvent | Polysol |