SpectraBase Compound ID | EpB6IWfOrtt |
---|---|
InChI | InChI=1S/2C29H44N2O3/c2*1-18(4-7-26(34)31-20-10-14-30-15-11-20)22-5-6-23-27-24(9-13-29(22,23)3)28(2)12-8-21(32)16-19(28)17-25(27)33/h2*10-11,14-15,18-19,21-25,27,32-33H,4-9,12-13,16-17H2,1-3H3,(H,30,31,34)/t2*18-,19+,21-,22-,23+,24+,25+,27+,28?,29-/m11/s1 |
InChIKey | WKGRVXIYLOQNFF-JTLLNVMUSA-N |
Mol Weight | 937.4 g/mol |
Molecular Formula | C58H88N4O6 |
Exact Mass | 936.670387 g/mol |
SpectraBase Spectrum ID | 2rfv16FIyVL |
---|---|
Name | 3-ALPHA,7-BETA-DIHYDROXY-5-BETA-CHOLAN-24-OIC-N-(PYRIDIN-4-YL)-AMIDE |
Compound Number | 4 |
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(4-7-26(34)31-20-10-14-30-15-11-20)22-5-6-23-27-24(9-13-29(22,23)3)28(2)12-8-21(32)16-19(28)17-25(27)33/h2*10-11,14-15,18-19,21-25,27,32-33H,4-9,12-13,16-17H2,1-3H3,(H,30,31,34)/t2*18-,19+,21-,22-,23+,24+,25+,27+,28?,29-/m11/s1 |
InChIKey | WKGRVXIYLOQNFF-JTLLNVMUSA-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 | 70700 |
Solvent | SOLID-STATE |