| SpectraBase Compound ID | 5po7nqCHlPR |
|---|---|
| InChI | InChI=1S/C24H40O5/c1-13(4-5-20(28)29)17-12-19(27)22-21-16(7-9-24(17,22)3)23(2)8-6-15(25)10-14(23)11-18(21)26/h13-19,21-22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16+,17-,18-,19+,21+,22+,23+,24-/m1/s1 |
| InChIKey | KAOKDEFHEADBNL-BLLLHDCFSA-N |
| Mol Weight | 408.6 g/mol |
| Molecular Formula | C24H40O5 |
| Exact Mass | 408.287574 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7OXE5YSURgM |
|---|---|
| Name | CYGNOCHOLIC-ACID;3-ALPHA,7-ALPHA,15-ALPHA-TRIHYDROXY-5-BETA-CHOLAN-24-OIC-ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H40O5 |
| InChI | InChI=1S/C24H40O5/c1-13(4-5-20(28)29)17-12-19(27)22-21-16(7-9-24(17,22)3)23(2)8-6-15(25)10-14(23)11-18(21)26/h13-19,21-22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16+,17-,18-,19+,21+,22+,23+,24-/m1/s1 |
| InChIKey | KAOKDEFHEADBNL-BLLLHDCFSA-N |
| Literature Reference Author | D.BI,X.Y.CHAI,Y.L.SONG,Y.LEI,P.F.TU |
| Literature Reference Citation | CHEM.PHARM.BULL.,57,528(2009) |
| Literature Reference DOI | 10.1248/cpb.57.528 |
| Molecular Weight | 408.579 g/mol |
| Sample ID | 2320 |
| Solvent | CD3OD |