| SpectraBase Compound ID | JQc1J0ancMK |
|---|---|
| InChI | InChI=1S/C27H44O4/c1-16(2)7-6-8-17(3)18-10-12-27(31)20-13-22(28)21-14-23(29)24(30)15-25(21,4)19(20)9-11-26(18,27)5/h13,16-19,21,23-24,29-31H,6-12,14-15H2,1-5H3/t17-,18-,19+,21+,23-,24+,25-,26-,27-/m1/s1 |
| InChIKey | QPGHAYOKHPQLQO-DXCOFLLLSA-N |
| Mol Weight | 432.6 g/mol |
| Molecular Formula | C27H44O4 |
| Exact Mass | 432.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ESuNxH42wNA |
|---|---|
| Name | 2-BETA-3-BETA-14-TRIHYDROXY-5-BETA-CHOLEST-7-EN-6-ONE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44O4 |
| InChI | InChI=1S/C27H44O4/c1-16(2)7-6-8-17(3)18-10-12-27(31)20-13-22(28)21-14-23(29)24(30)15-25(21,4)19(20)9-11-26(18,27)5/h13,16-19,21,23-24,29-31H,6-12,14-15H2,1-5H3/t17-,18-,19+,21+,23-,24+,25-,26-,27-/m1/s1 |
| InChIKey | QPGHAYOKHPQLQO-DXCOFLLLSA-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 | 432.644 g/mol |
| Solvent | PYRIDINE |
| Source File Reference | UNIW3953 |