| SpectraBase Compound ID | 71OuMlBprxT |
|---|---|
| InChI | InChI=1S/C31H44N2O9/c1-16-11-26(36)31(39-15-16)17(2)27-24(42-31)13-23-21-12-25(32-33(37)38)30(41-19(4)35)14-20(40-18(3)34)7-10-29(30,6)22(21)8-9-28(23,27)5/h16-17,20-24,27H,7-15H2,1-6H3/b32-25+/t16-,17+,20+,21-,22+,23+,24+,27+,28+,29-,30+,31+/m1/s1 |
| InChIKey | HIWZHFSYWPSQGP-LWPXJRSCSA-N |
| Mol Weight | 588.7 g/mol |
| Molecular Formula | C31H44N2O9 |
| Exact Mass | 588.304681 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J8hr3u1C8PD |
|---|---|
| Name | ANTI-(25R)-3-BETA,5-ALPHA-DIACETOXY-6-NITROIMIN-5-ALPHA-SPIROSTAN-23-ONE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H44N2O9 |
| InChI | InChI=1S/C31H44N2O9/c1-16-11-26(36)31(39-15-16)17(2)27-24(42-31)13-23-21-12-25(32-33(37)38)30(41-19(4)35)14-20(40-18(3)34)7-10-29(30,6)22(21)8-9-28(23,27)5/h16-17,20-24,27H,7-15H2,1-6H3/b32-25+/t16-,17+,20+,21-,22+,23+,24+,27+,28+,29-,30+,31+/m1/s1 |
| InChIKey | HIWZHFSYWPSQGP-LWPXJRSCSA-N |
| Literature Reference Author | Y.LOPEZ,K.M.RUIZ-PEREZ,R.YEPEZ,R.SANTILLAN,M.FLORES-ALAMO,M. A.IGLESIAS-ARTEAGA |
| Literature Reference Citation | STEROIDS,73,657(2008) |
| Literature Reference DOI | 10.1016/j.steroids.2008.02.003 |
| Molecular Weight | 588.698 g/mol |
| Sample ID | 968834 |
| Solvent | CDCl3 |