| SpectraBase Compound ID | HOGvbjaopUa |
|---|---|
| InChI | InChI=1S/C25H42O4/c1-15(5-8-23(28)29-4)18-6-7-19-17-14-22(27)21-13-16(26)9-11-25(21,3)20(17)10-12-24(18,19)2/h15-22,26-27H,5-14H2,1-4H3/t15?,16-,17+,18-,19+,20+,21+,22+,24-,25-/m1/s1 |
| InChIKey | BWDRDVHYVJQWBO-VBISSNSGSA-N |
| Mol Weight | 406.6 g/mol |
| Molecular Formula | C25H42O4 |
| Exact Mass | 406.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KDua4rZ0ebd |
|---|---|
| Name | METHYL-3-ALPHA,6-ALPHA-DIHYDROXY-5-BETA-CHOLAN-24-OATE,(METHYLHYODESOXYCHOLATE) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H42O4 |
| InChI | InChI=1S/C25H42O4/c1-15(5-8-23(28)29-4)18-6-7-19-17-14-22(27)21-13-16(26)9-11-25(21,3)20(17)10-12-24(18,19)2/h15-22,26-27H,5-14H2,1-4H3/t15?,16-,17+,18-,19+,20+,21+,22+,24-,25-/m1/s1 |
| InChIKey | BWDRDVHYVJQWBO-VBISSNSGSA-N |
| Literature Reference Author | J.W.BLUNT,J.B.STOTHERS |
| Literature Reference Citation | ORG.MAGN.RES.,9,439(1977) |
| Literature Reference DOI | 10.1002/mrc.1270090802 |
| Molecular Weight | 406.606 g/mol |
| Solvent | CH2Cl2 |
| Source File Reference | UNIW3426 |