| SpectraBase Compound ID | HsKkhUhQsu |
|---|---|
| InChI | InChI=1S/C25H40O2/c1-17(8-13-23(26)27-4)20-11-12-21-19-10-9-18-7-5-6-15-24(18,2)22(19)14-16-25(20,21)3/h5,7,17-22H,6,8-16H2,1-4H3/t17-,18+,19+,20-,21+,22+,24+,25-/m1/s1 |
| InChIKey | SWOCCXUIQRXEJJ-ZXKBGTPZSA-N |
| Mol Weight | 372.6 g/mol |
| Molecular Formula | C25H40O2 |
| Exact Mass | 372.302831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3WlljiASVJ2 |
|---|---|
| Name | METHYL-5-BETA-CHOL-3-ENOATE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H40O2 |
| InChI | InChI=1S/C25H40O2/c1-17(8-13-23(26)27-4)20-11-12-21-19-10-9-18-7-5-6-15-24(18,2)22(19)14-16-25(20,21)3/h5,7,17-22H,6,8-16H2,1-4H3/t17-,18+,19+,20-,21+,22+,24+,25-/m1/s1 |
| InChIKey | SWOCCXUIQRXEJJ-ZXKBGTPZSA-N |
| Literature Reference Author | T.IIDA,J.GOTO,T.NAMBARA |
| Literature Reference Citation | MAGN.RES.CHEM.,31,421(1993) |
| Literature Reference DOI | 10.1002/mrc.1260310423 |
| Molecular Weight | 372.591 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMR162 |