| SpectraBase Compound ID | 4xsvvWMy6Cj |
|---|---|
| InChI | InChI=1S/C23H34O4/c1-13(21(26)27-4)17-7-8-18-16-6-5-14-11-15(24)9-10-22(14,2)19(16)12-20(25)23(17,18)3/h11,13,16-20,25H,5-10,12H2,1-4H3/t13?,16-,17+,18-,19-,20-,22-,23+/m0/s1 |
| InChIKey | HBZXSGYZIZTTQF-VCLCRLRRSA-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 | 1i6OxdLJ01Z |
|---|---|
| Name | Methylester of 12.alpha.-Hydroxypregn-4-en-3-one-20-carboxylic acid |
| Alternate Name(s) | Methyl 2-[(1S,2R,10R,11S,14R,15S,16S)-16-hydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-6-en-14-yl]propanoate 2-[(8R,9S,10R,12S,13S,14S,17R)-12-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]propanoic acid methyl ester Methyl 2-[(8R,9S,10R,12S,13S,14S,17R)-12-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]propanoate Methyl 2-[(8R,9S,10R,12S,13S,14S,17R)-10,13-dimethyl-12-oxidanyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]propanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H34O4 |
| InChI | InChI=1S/C23H34O4/c1-13(21(26)27-4)17-7-8-18-16-6-5-14-11-15(24)9-10-22(14,2)19(16)12-20(25)23(17,18)3/h11,13,16-20,25H,5-10,12H2,1-4H3/t13?,16-,17+,18-,19-,20-,22-,23+/m0/s1 |
| InChIKey | HBZXSGYZIZTTQF-VCLCRLRRSA-N |
| Molecular Weight | 374.521 g/mol |
| SMILES | O[C@@]1([C@]2([C@]([C@@]3(CCC=4[C@@]([C@]3(C1)[H])(CCC(=O)C4)C)[H])(CC[C@@]2(C(C(=O)OC)C)[H])[H])C)[H] |
| SPLASH | splash10-00xr-0954000000-35c749611bc07801512c |
| Source of Spectrum | F-37-251-0 |
| Wiley ID | 1356847 |