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3-ALPHA,7-ALPHA-DIHYDROXY-5-BETA-CHOLAN-24-OIC-N-(PYRIDIN-4-YL)-AMIDE-ANHYDROUS-FORM
SpectraBase Compound ID J13u55gD1Fc
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-SSUBKTFDSA-N
Mol Weight 937.4 g/mol
Molecular Formula C58H88N4O6
Exact Mass 936.670387 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KtQRyiuaojT
Name 3-ALPHA,7-ALPHA-DIHYDROXY-5-BETA-CHOLAN-24-OIC-N-(PYRIDIN-4-YL)-AMIDE-ANHYDROUS-FORM
Compound Number 3A
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-SSUBKTFDSA-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 70697
Solvent SOLID-STATE