| SpectraBase Compound ID | F5Gq5xFjS6T |
|---|---|
| InChI | InChI=1S/C26H41N3O4/c1-15(5-10-24(31)32)20-8-9-21-19-7-6-17-13-18(28-29-27)11-12-25(17,3)22(19)14-23(26(20,21)4)33-16(2)30/h15,17-23H,5-14H2,1-4H3,(H,31,32)/t15-,17-,18-,19+,20-,21+,22+,23+,25+,26-/m1/s1 |
| InChIKey | OMXUPFHJVVIBTK-UMHLJENVSA-N |
| Mol Weight | 459.6 g/mol |
| Molecular Formula | C26H41N3O4 |
| Exact Mass | 459.309707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EA3hNUA79W8 |
|---|---|
| Name | 3-ALPHA-AZIDO,12-ALPHA-ACETOXY-5-BETA-CHOLAN-24-OIC-ACID |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H41N3O4 |
| InChI | InChI=1S/C26H41N3O4/c1-15(5-10-24(31)32)20-8-9-21-19-7-6-17-13-18(28-29-27)11-12-25(17,3)22(19)14-23(26(20,21)4)33-16(2)30/h15,17-23H,5-14H2,1-4H3,(H,31,32)/t15-,17-,18-,19+,20-,21+,22+,23+,25+,26-/m1/s1 |
| InChIKey | OMXUPFHJVVIBTK-UMHLJENVSA-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 | 459.629 g/mol |
| Sample ID | 480 |
| Solvent | CDCl3 |