| SpectraBase Compound ID | 9p75UxSrMZy |
|---|---|
| InChI | InChI=1S/C22H34O5/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/h12-16,18-19,23,25H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,18-,19+,21+,22+/m1/s1 |
| InChIKey | ZPFUUTIZGOTKAL-QJHGGAOBSA-N |
| Mol Weight | 378.5 g/mol |
| Molecular Formula | C22H34O5 |
| Exact Mass | 378.240624 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 1QixS4GE55o |
|---|---|
| Name | 3α,20β-dihydroxy-11-oxo-5β-pregnan-21-oic acid, methyl ester |
| Source of Sample | M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H34O5 |
| InChI | InChI=1S/C22H34O5/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/h12-16,18-19,23,25H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,18-,19+,21+,22+/m1/s1 |
| InChIKey | ZPFUUTIZGOTKAL-QJHGGAOBSA-N |
| Melting Point | 176-177C |
| Molecular Weight | 378.51 |
| Technique | KBr WAFER |