| SpectraBase Compound ID | cStvQnrtS9 |
|---|---|
| InChI | InChI=1S/C25H36O4/c1-14-20(13-22(27)28-4)29-21-12-19-17-6-5-15-11-16(26)7-9-24(15,2)18(17)8-10-25(19,3)23(14)21/h11,14,17-21,23H,5-10,12-13H2,1-4H3/t14-,17-,18?,19?,20?,21?,23?,24?,25?/m1/s1 |
| InChIKey | RCXSIODKVSWMAG-DGNVAOOJSA-N |
| Mol Weight | 400.6 g/mol |
| Molecular Formula | C25H36O4 |
| Exact Mass | 400.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3yLtA3OF1Ux |
|---|---|
| Name | METHYL-3-OXO-16,22-OXIDOCHOLAN-4-EN-24-OLATE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H36O4 |
| InChI | InChI=1S/C25H36O4/c1-14-20(13-22(27)28-4)29-21-12-19-17-6-5-15-11-16(26)7-9-24(15,2)18(17)8-10-25(19,3)23(14)21/h11,14,17-21,23H,5-10,12-13H2,1-4H3/t14-,17-,18?,19?,20?,21?,23?,24?,25?/m1/s1 |
| InChIKey | RCXSIODKVSWMAG-DGNVAOOJSA-N |
| Literature Reference Author | S.S.LEE,J.L.YAN,G.Y.LIN,K.C.WANG |
| Literature Reference Citation | J.NAT.PROD.,61,275(1998) |
| Literature Reference DOI | 10.1021/np970392w |
| Molecular Weight | 400.558 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP340 |