| SpectraBase Compound ID | 4Rxvol285xQ |
|---|---|
| InChI | InChI=1S/C25H40O4/c1-15(8-11-22(28)29-4)17-9-10-18-23-19(14-21(27)25(17,18)3)24(2)12-6-5-7-16(24)13-20(23)26/h5-6,15-21,23,26-27H,7-14H2,1-4H3/t15-,16+,17-,18+,19+,20-,21+,23+,24+,25-/m1/s1 |
| InChIKey | WORLYKPLNOTUAH-KGFCUSQPSA-N |
| Mol Weight | 404.6 g/mol |
| Molecular Formula | C25H40O4 |
| Exact Mass | 404.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AkdB8md7uJR |
|---|---|
| Name | 7,12-DIHYDROXY-METHYL-5-BETA-CHOL-2-ENOATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H40O4 |
| InChI | InChI=1S/C25H40O4/c1-15(8-11-22(28)29-4)17-9-10-18-23-19(14-21(27)25(17,18)3)24(2)12-6-5-7-16(24)13-20(23)26/h5-6,15-21,23,26-27H,7-14H2,1-4H3/t15-,16+,17-,18+,19+,20-,21+,23+,24+,25-/m1/s1 |
| InChIKey | WORLYKPLNOTUAH-KGFCUSQPSA-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 | 404.590 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMR161 |