| SpectraBase Compound ID | 3WGWS3PCr4b |
|---|---|
| InChI | InChI=1S/C23H34O4/c1-14(21(26)27-3)18-6-7-19-17-5-4-15-12-16(25)8-11-23(15,13-24)20(17)9-10-22(18,19)2/h12,14,17-20,24H,4-11,13H2,1-3H3/t14-,17-,18+,19-,20-,22+,23+/m0/s1 |
| InChIKey | RLSZNVZSLZKJRB-RPDNGTMGSA-N |
| Mol Weight | 374.5 g/mol |
| Molecular Formula | C23H34O4 |
| Exact Mass | 374.24571 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9egVpaarGKp |
|---|---|
| Name | Pregn-4-ene-20.alpha.-carboxylic acid, 19-hydroxy-3-oxo-, methyl ester |
| CAS Registry Number | 20248-19-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H34O4 |
| InChI | InChI=1S/C23H34O4/c1-14(21(26)27-3)18-6-7-19-17-5-4-15-12-16(25)8-11-23(15,13-24)20(17)9-10-22(18,19)2/h12,14,17-20,24H,4-11,13H2,1-3H3/t14-,17-,18+,19-,20-,22+,23+/m0/s1 |
| InChIKey | RLSZNVZSLZKJRB-RPDNGTMGSA-N |
| Molecular Weight | 374.521 g/mol |
| SMILES | OC[C@]12[C@]3(CC[C@]4([C@]([C@@]3(CCC2=CC(CC1)=O)[H])(CC[C@@]4([C@@](C(=O)OC)(C)[H])[H])[H])C)[H] |
| SPLASH | splash10-0296-0896000000-901c991142ab684a9656 |
| Source of Spectrum | T-68-5035-0 |
| Synonyms | Methyl (2S)-2-[(1S,2S,10S,11S,14R,15S)-2-(hydroxymethyl)-15-methyl-5-oxotetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-6-en-14-yl]propanoate Methyl-3-oxo-19-hydroxybisnorchol-4-en-22-oate (2S)-2-[(8S,9S,10S,13S,14S,17R)-10-(hydroxymethyl)-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]propanoic acid methyl ester Methyl (2S)-2-[(8S,9S,10S,13S,14S,17R)-10-(hydroxymethyl)-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]propanoate Methyl (2S)-2-[(8S,9S,10S,13S,14S,17R)-10-(hydroxymethyl)-13-methyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]propanoate |
| Wiley ID | 1356834 |