| SpectraBase Compound ID | 3BaKIM1jNXh |
|---|---|
| InChI | InChI=1S/C23H32O5/c1-13(24)28-20(21(26)27)19-7-6-17-16-5-4-14-12-15(25)8-10-22(14,2)18(16)9-11-23(17,19)3/h12,16-20H,4-11H2,1-3H3,(H,26,27)/t16-,17-,18-,19+,20+,22-,23-/m0/s1 |
| InChIKey | PIYGOJYBUCJHJT-UMDFJOQQSA-N |
| Mol Weight | 388.5 g/mol |
| Molecular Formula | C23H32O5 |
| Exact Mass | 388.224974 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | CEfRvjtfdbI |
|---|---|
| Name | 20α-hydroxy-3-oxo-pregn-4-en-21-oic acid, acetate |
| 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 | C23H32O5 |
| InChI | InChI=1S/C23H32O5/c1-13(24)28-20(21(26)27)19-7-6-17-16-5-4-14-12-15(25)8-10-22(14,2)18(16)9-11-23(17,19)3/h12,16-20H,4-11H2,1-3H3,(H,26,27)/t16-,17-,18-,19+,20+,22-,23-/m0/s1 |
| InChIKey | PIYGOJYBUCJHJT-UMDFJOQQSA-N |
| Melting Point | 184.5-186.5C (DEC.) |
| Molecular Weight | 388.51 |
| Technique | KBr WAFER |