| SpectraBase Compound ID | F8pF3iVISRV |
|---|---|
| InChI | InChI=1S/C40H56N2O5/c1-37-17-13-27-25(8-12-32-39(27,3)19-15-33(43)42(32)6)30(37)21-23(22-37)35(45)47-36(46)29-10-9-26-24-7-11-31-40(4,20-16-34(44)41(31)5)28(24)14-18-38(26,29)2/h10,22,24-28,30-32H,7-9,11-21H2,1-6H3/t24-,25+,26-,27-,28-,30-,31+,32+,37+,38-,39+,40+/m0/s1 |
| InChIKey | CGEWXFFNULHSEB-MWZLIEARSA-N |
| Mol Weight | 644.9 g/mol |
| Molecular Formula | C40H56N2O5 |
| Exact Mass | 644.418923 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IgW7MtZwSsK |
|---|---|
| Name | 4-METHYL-4-AZA-ANDROST-16-EN-3-ON-17-CARBOXYLIC-ANHYDRIDE |
| Compound Number | 6A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H56N2O5 |
| InChI | InChI=1S/C40H56N2O5/c1-37-17-13-27-25(8-12-32-39(27,3)19-15-33(43)42(32)6)30(37)21-23(22-37)35(45)47-36(46)29-10-9-26-24-7-11-31-40(4,20-16-34(44)41(31)5)28(24)14-18-38(26,29)2/h10,22,24-28,30-32H,7-9,11-21H2,1-6H3/t24-,25+,26-,27-,28-,30-,31+,32+,37+,38-,39+,40+/m0/s1 |
| InChIKey | CGEWXFFNULHSEB-MWZLIEARSA-N |
| Literature Reference Author | R.SKODA-FOULDES,Z.CSAKAI,L.KOLLAR,G.SZALONTAI,J.HORVATH,Z.TU BA |
| Literature Reference Citation | STEROIDS,60,786(1995) |
| Literature Reference DOI | 10.1016/0039-128x(95)00120-f |
| Molecular Weight | 644.895 g/mol |
| Source File Reference | UWLU73917 |