| SpectraBase Compound ID | 9xzzMPQMjwU |
|---|---|
| InChI | InChI=1S/C25H42O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-22,26-27H,5-14H2,1-4H3/t15-,16-,17-,18+,19-,20+,21+,22+,24+,25-/m1/s1 |
| InChIKey | ZHUOOEGSSFNTNP-JMKDMENQSA-N |
| Mol Weight | 406.6 g/mol |
| Molecular Formula | C25H42O4 |
| Exact Mass | 406.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5rDEJk03yoU |
|---|---|
| Name | METHYL-3-ALPHA,12-ALPHA-DIHYDROXY-5-BETA-CHOLAN-24-OATE |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H42O4 |
| InChI | InChI=1S/C25H42O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-22,26-27H,5-14H2,1-4H3/t15-,16-,17-,18+,19-,20+,21+,22+,24+,25-/m1/s1 |
| InChIKey | ZHUOOEGSSFNTNP-JMKDMENQSA-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 | 406.606 g/mol |
| Sample ID | 477 |
| Solvent | CDCl3 |