| SpectraBase Compound ID | 9NLUvMx7qtx |
|---|---|
| InChI | InChI=1S/C25H40O3/c1-16(5-10-23(27)28-4)20-8-9-21-19-7-6-17-15-18(26)11-13-24(17,2)22(19)12-14-25(20,21)3/h16-17,19-22H,5-15H2,1-4H3/t16?,17-,19?,20?,21?,22?,24+,25-/m1/s1 |
| InChIKey | SRLWMUQGWKOYLX-CZIIGNBQSA-N |
| Mol Weight | 388.6 g/mol |
| Molecular Formula | C25H40O3 |
| Exact Mass | 388.297745 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CLGmMaYoDtt |
|---|---|
| Name | METHYL-3-OXO-CHOLAN-24-OATE |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H40O3 |
| InChI | InChI=1S/C25H40O3/c1-16(5-10-23(27)28-4)20-8-9-21-19-7-6-17-15-18(26)11-13-24(17,2)22(19)12-14-25(20,21)3/h16-17,19-22H,5-15H2,1-4H3/t16?,17-,19?,20?,21?,22?,24+,25-/m1/s1 |
| InChIKey | SRLWMUQGWKOYLX-CZIIGNBQSA-N |
| Literature Reference Author | T.YOSIEF,A.RUDI,Y.KASHMAN |
| Literature Reference Citation | J.NAT.PROD.,63,299(2000) |
| Literature Reference DOI | 10.1021/np9902690 |
| Molecular Weight | 388.591 g/mol |
| Solvent | C6D6 |
| Source File Reference | UWRU1786 |