| SpectraBase Compound ID | KNwW2JjRTzk |
|---|---|
| InChI | InChI=1S/C23H34O4/c1-14(24)23(26)12-9-20-18-6-5-16-13-17(27-15(2)25)7-10-21(16,3)19(18)8-11-22(20,23)4/h5,17-20,26H,6-13H2,1-4H3/t17?,18-,19+,20+,21+,22+,23+/m1/s1 |
| InChIKey | IQCNQJXIOWBNAT-QCGJQQEMSA-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 | 9XolHRBYD4A |
|---|---|
| Name | 17-Hydroxy-20-oxopregn-5-en-3-yl acetate |
| Alternate Name(s) | [(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate [(8R,9S,10R,13S,14S,17R)-17-ethanoyl-10,13-dimethyl-17-oxidanyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ethanoate |
| CAS Registry Number | 56273-07-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H34O4 |
| InChI | InChI=1S/C23H34O4/c1-14(24)23(26)12-9-20-18-6-5-16-13-17(27-15(2)25)7-10-21(16,3)19(18)8-11-22(20,23)4/h5,17-20,26H,6-13H2,1-4H3/t17?,18-,19+,20+,21+,22+,23+/m1/s1 |
| InChIKey | IQCNQJXIOWBNAT-QCGJQQEMSA-N |
| Molecular Weight | 374.521 g/mol |
| SMILES | O[C@]1([C@@]2([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CCC(OC(=O)C)C4)C)[H])(CC1)[H])C)C(=O)C |
| SPLASH | splash10-052e-5940000000-d4a948eed4c8d535c87b |
| Source of Spectrum | EP-3457-0-0 |
| Wiley ID | 1356842 |