![7-oxo-20-Hydroxypregn-5-en-3.beta.-yl acetate - 7-[o-methoxycarbonyl]oxime](/api/spectrum/9Jm8HmeEpZY/structure.png?h=300&w=458 "7-oxo-20-Hydroxypregn-5-en-3.beta.-yl acetate - 7-[o-methoxycarbonyl]oxime")
| SpectraBase Compound ID | Cm2nEMocZmm |
|---|---|
| InChI | InChI=1S/C26H39NO6/c1-15(28)19-6-7-20-24-21(9-11-26(19,20)4)25(3)10-8-18(33-16(2)29)12-17(25)13-22(24)27-32-14-23(30)31-5/h13,15,18-21,24,28H,6-12,14H2,1-5H3/b27-22-/t15-,18?,19?,20?,21?,24?,25?,26?/m1/s1 |
| InChIKey | FBNCQRGGXMZJBC-QAINVFIJSA-N |
| Mol Weight | 461.6 g/mol |
| Molecular Formula | C26H39NO6 |
| Exact Mass | 461.277738 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Jm8HmeEpZY |
|---|---|
| Name | 7-oxo-20-Hydroxypregn-5-en-3.beta.-yl acetate - 7-[o-methoxycarbonyl]oxime |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 461.277737974 u |
| Formula | C26H39NO6 |
| InChI | InChI=1S/C26H39NO6/c1-15(28)19-6-7-20-24-21(9-11-26(19,20)4)25(3)10-8-18(33-16(2)29)12-17(25)13-22(24)27-32-14-23(30)31-5/h13,15,18-21,24,28H,6-12,14H2,1-5H3/b27-22-/t15-,18?,19?,20?,21?,24?,25?,26?/m1/s1 |
| InChIKey | FBNCQRGGXMZJBC-QAINVFIJSA-N |
| Molecular Weight | 461.599 g/mol |
| SMILES | C12(C(C3\C(C=C4C(C3CC2)(CCC(OC(=O)C)C4)C)=N/OCC(=O)OC)CCC1[C@](O)(C)[H])C |