| SpectraBase Compound ID | 2oKb4wO1egy |
|---|---|
| InChI | InChI=1S/C28H49N3O2S/c1-17(2)7-6-8-18(3)20-9-10-21-24-22(12-13-26(20,21)4)27(5)14-11-19(32)15-28(27,33)23(24)16-30-31-25(29)34/h16-24,32-33H,6-15H2,1-5H3,(H3,29,31,34)/b30-16+/t18-,19+,20-,21+,22+,23-,24+,26-,27-,28-/m1/s1 |
| InChIKey | YQHPZZKVTPUJAH-UPOVSJNFSA-N |
| Mol Weight | 491.8 g/mol |
| Molecular Formula | C28H49N3O2S |
| Exact Mass | 491.354549 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gf0PrwkcCMp |
|---|---|
| Name | 3-BETA,5-BETA-DIHYDROXY-6-BETA-THIOSEMICARBAZONE-B-NOR-CHOLANATE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H49N3O2S |
| InChI | InChI=1S/C28H49N3O2S/c1-17(2)7-6-8-18(3)20-9-10-21-24-22(12-13-26(20,21)4)27(5)14-11-19(32)15-28(27,33)23(24)16-30-31-25(29)34/h16-24,32-33H,6-15H2,1-5H3,(H3,29,31,34)/b30-16+/t18-,19+,20-,21+,22+,23-,24+,26-,27-,28-/m1/s1 |
| InChIKey | YQHPZZKVTPUJAH-UPOVSJNFSA-N |
| Literature Reference Author | C.GAN,L.FAN,J.CUI,Y.HUANG,Y.JIAO,W.WEI |
| Literature Reference Citation | STEROIDS,77,1061(2012) |
| Literature Reference DOI | 10.1016/j.steroids.2012.05.005 |
| Molecular Weight | 491.776 g/mol |
| Sample ID | 70664 |
| Solvent | CDCl3 |