| SpectraBase Compound ID | JQCVU5flsce |
|---|---|
| InChI | InChI=1S/C24H39N3O3/c1-14(4-9-22(29)30)18-7-8-19-17-6-5-15-12-16(26-27-25)10-11-23(15,2)20(17)13-21(28)24(18,19)3/h14-21,28H,4-13H2,1-3H3,(H,29,30)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1 |
| InChIKey | ZBSOIMJHWBXZMM-LLQZFEROSA-N |
| Mol Weight | 417.6 g/mol |
| Molecular Formula | C24H39N3O3 |
| Exact Mass | 417.299142 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9EOdZzzfd9c |
|---|---|
| Name | 3-ALPHA-AZIDO,12-ALPHA-HYDROXY-5-BETA-CHOLAN-24-OIC-ACID |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H39N3O3 |
| InChI | InChI=1S/C24H39N3O3/c1-14(4-9-22(29)30)18-7-8-19-17-6-5-15-12-16(26-27-25)10-11-23(15,2)20(17)13-21(28)24(18,19)3/h14-21,28H,4-13H2,1-3H3,(H,29,30)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1 |
| InChIKey | ZBSOIMJHWBXZMM-LLQZFEROSA-N |
| Literature Reference Author | D.VERZELE,S.FIGAROLI,A.MADDER |
| Literature Reference Citation | MOLECULES,16,10168(2011) |
| Literature Reference DOI | 10.3390/molecules161210168 |
| Molecular Weight | 417.592 g/mol |
| Sample ID | 479 |
| Solvent | CDCl3 |