| SpectraBase Compound ID | 1dcBIdjE1uL |
|---|---|
| InChI | InChI=1S/C24H38O6/c1-13(4-7-20(27)28)15-5-6-16-21-17(11-19(26)23(15,16)3)22(2)8-9-24(29,30)12-14(22)10-18(21)25/h13-17,19,21,26,29-30H,4-12H2,1-3H3,(H,27,28)/t13-,14-,15-,16+,17+,19+,21+,22+,23-/m1/s1 |
| InChIKey | WUKQFRXLEVCBFW-KIWUCQIESA-N |
| Mol Weight | 422.6 g/mol |
| Molecular Formula | C24H38O6 |
| Exact Mass | 422.266839 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 | 8RYeQmUf3ZK |
|---|---|
| Name | 3,3,12-TRIHYDROXY-7-KETO-CHOLANIC-ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H38O6 |
| InChI | InChI=1S/C24H38O6/c1-13(4-7-20(27)28)15-5-6-16-21-17(11-19(26)23(15,16)3)22(2)8-9-24(29,30)12-14(22)10-18(21)25/h13-17,19,21,26,29-30H,4-12H2,1-3H3,(H,27,28)/t13-,14-,15-,16+,17+,19+,21+,22+,23-/m1/s1 |
| InChIKey | WUKQFRXLEVCBFW-KIWUCQIESA-N |
| Literature Reference Author | S.H.KIM,Y.K.SHIN,Y.C.SOHN,H.C.KWON |
| Literature Reference Citation | MOLECULES,17,12357(2012) |
| Literature Reference DOI | 10.3390/molecules171012357 |
| Molecular Weight | 422.562 g/mol |
| Sample ID | 1510 |
| Solvent | CD3OD |