| SpectraBase Compound ID | FAIxCzzCuk4 |
|---|---|
| InChI | InChI=1S/C31H44O4/c1-19(5-6-21-17-23(33)8-12-29(21)34)26-10-11-27-25-9-7-22-18-24(35-20(2)32)13-15-30(22,3)28(25)14-16-31(26,27)4/h8,12,17,19,22,24-28H,5-7,9-11,13-16,18H2,1-4H3/t19-,22-,24-,25+,26-,27+,28+,30+,31-/m1/s1 |
| InChIKey | AEJCFQOKSPYQDF-RNQFDSBBSA-N |
| Mol Weight | 480.7 g/mol |
| Molecular Formula | C31H44O4 |
| Exact Mass | 480.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 16JA6zRqsSY |
|---|---|
| Name | 23-(1,4-BENZOQUINOYL)-24-NOR-5-BETA-CHOLANE-3-ALPHA-YL-ACETATE |
| Compound Number | 5B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H44O4 |
| InChI | InChI=1S/C31H44O4/c1-19(5-6-21-17-23(33)8-12-29(21)34)26-10-11-27-25-9-7-22-18-24(35-20(2)32)13-15-30(22,3)28(25)14-16-31(26,27)4/h8,12,17,19,22,24-28H,5-7,9-11,13-16,18H2,1-4H3/t19-,22-,24-,25+,26-,27+,28+,30+,31-/m1/s1 |
| InChIKey | AEJCFQOKSPYQDF-RNQFDSBBSA-N |
| Literature Reference Author | G.E.SILESS,M.E.KNOTT,M.G.DERITA,S.A.ZACCHINO,L.PURICELLI,J.A .PALERMO |
| Literature Reference Citation | STEROIDS,77,45(2012) |
| Literature Reference DOI | 10.1016/j.steroids.2011.09.012 |
| Molecular Weight | 480.688 g/mol |
| Sample ID | 70522 |
| Solvent | CDCl3 |