| SpectraBase Compound ID | 4HqU5KEMi7b |
|---|---|
| InChI | InChI=1S/C27H46N4O2S/c1-16(6-11-24(33)31(4)5)20-9-10-21-19-8-7-17-14-18(32)12-13-26(17,2)22(19)15-23(27(20,21)3)29-30-25(28)34/h16-22,32H,6-15H2,1-5H3,(H3,28,30,34)/b29-23+/t16-,17-,18+,19+,20-,21+,22+,26+,27-/m1/s1 |
| InChIKey | NMDRVQNXCNDELY-SREPPXLVSA-N |
| Mol Weight | 490.8 g/mol |
| Molecular Formula | C27H46N4O2S |
| Exact Mass | 490.334148 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ArtxbNL4X5A |
|---|---|
| Name | N,N-DIMETHYL-3-HYDROXY-12-THIOSEMICARBAZONE-7-DEOXY-CHOLIC-AMIDE |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H46N4O2S |
| InChI | InChI=1S/C27H46N4O2S/c1-16(6-11-24(33)31(4)5)20-9-10-21-19-8-7-17-14-18(32)12-13-26(17,2)22(19)15-23(27(20,21)3)29-30-25(28)34/h16-22,32H,6-15H2,1-5H3,(H3,28,30,34)/b29-23+/t16-,17-,18+,19+,20-,21+,22+,26+,27-/m1/s1 |
| InChIKey | NMDRVQNXCNDELY-SREPPXLVSA-N |
| Literature Reference Author | Y.HUANG,J.CUI,L.JIA,C.GAN,H.SONG,C.ZENG,A.ZHOU |
| Literature Reference Citation | MOLECULES,18,7436(2013) |
| Literature Reference DOI | 10.3390/molecules18077436 |
| Molecular Weight | 490.748 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR9017 |