| SpectraBase Compound ID | Dlkdbvs9wLy |
|---|---|
| InChI | InChI=1S/2C29H44N2O3/c2*1-18(4-7-27(34)31-19-10-14-30-15-11-19)22-5-6-23-21-17-26(33)25-16-20(32)8-12-29(25,3)24(21)9-13-28(22,23)2/h2*10-11,14-15,18,20-26,32-33H,4-9,12-13,16-17H2,1-3H3,(H,30,31,34)/t2*18-,20-,21+,22-,23+,24+,25+,26+,28-,29?/m11/s1 |
| InChIKey | GTBHRAXQAJUJMX-DUICMCMBSA-N |
| Mol Weight | 937.4 g/mol |
| Molecular Formula | C58H88N4O6 |
| Exact Mass | 936.670387 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1gBSs76iw1E |
|---|---|
| Name | 3-ALPHA,6-ALPHA-DIHYDROXY-5-BETA-CHOLAN-24-OIC-N-(PYRIDIN-4-YL)-AMIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H88N4O6 |
| InChI | InChI=1S/2C29H44N2O3/c2*1-18(4-7-27(34)31-19-10-14-30-15-11-19)22-5-6-23-21-17-26(33)25-16-20(32)8-12-29(25,3)24(21)9-13-28(22,23)2/h2*10-11,14-15,18,20-26,32-33H,4-9,12-13,16-17H2,1-3H3,(H,30,31,34)/t2*18-,20-,21+,22-,23+,24+,25+,26+,28-,29?/m11/s1 |
| InChIKey | GTBHRAXQAJUJMX-DUICMCMBSA-N |
| Literature Reference Author | K.V.AHONEN,M.K.LAHTINEN,M.S.LOEFMAN,A.M.KIESILA,A.M.VALKONEN ,E.I.SIEVAENEN,NONAP |
| Literature Reference Citation | STEROIDS,77,1141(2012) |
| Literature Reference DOI | 10.1016/j.steroids.2012.06.003 |
| Molecular Weight | 937.360 g/mol |
| Sample ID | 70702 |
| Solvent | SOLID-STATE |