| SpectraBase Compound ID | 82E6qyB4DIn |
|---|---|
| InChI | InChI=1S/C25H42O2/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/h17-22H,5-16H2,1-4H3/t17-,18+,19+,20-,21+,22+,24+,25-/m1/s1 |
| InChIKey | YHTRVWPOAJKWBV-ZXKBGTPZSA-N |
| Mol Weight | 374.6 g/mol |
| Molecular Formula | C25H42O2 |
| Exact Mass | 374.318481 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8GrqbUHh8Qm |
|---|---|
| Name | METHYL-5-BETA-CHOLAN-24-OATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H42O2 |
| InChI | InChI=1S/C25H42O2/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/h17-22H,5-16H2,1-4H3/t17-,18+,19+,20-,21+,22+,24+,25-/m1/s1 |
| InChIKey | YHTRVWPOAJKWBV-ZXKBGTPZSA-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 | 374.607 g/mol |
| Solvent | CH2Cl2 |
| Source File Reference | UNIW103 |