| SpectraBase Compound ID | BJrasV0j5VR |
|---|---|
| InChI | InChI=1S/C25H40O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h7,15-17,19-22,26-27H,5-6,8-14H2,1-4H3/t15-,16-,17-,19-,20+,21+,22+,24+,25-/m1/s1 |
| InChIKey | OVICFHMAHLJZPY-CEDZBBDZSA-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 | 1LiElFUDU1T |
|---|---|
| Name | 3,12-DIHYDROXY-METHYL-5-BETA-CHOL-7-ENOATE |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H40O4 |
| InChI | InChI=1S/C25H40O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h7,15-17,19-22,26-27H,5-6,8-14H2,1-4H3/t15-,16-,17-,19-,20+,21+,22+,24+,25-/m1/s1 |
| InChIKey | OVICFHMAHLJZPY-CEDZBBDZSA-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 | UWMR173 |