| SpectraBase Compound ID | XtW0UirUtT |
|---|---|
| InChI | InChI=1S/C27H44O3/c1-16(2)7-6-8-17(3)19-9-10-20-18-13-23(28)22-14-24(29)25(30)15-27(22,5)21(18)11-12-26(19,20)4/h13,16-17,19-22,24-25,29-30H,6-12,14-15H2,1-5H3/t17-,19-,20+,21+,22+,24-,25+,26-,27-/m1/s1 |
| InChIKey | VAQVBVTYAWVYLZ-KXXAZSGSSA-N |
| Mol Weight | 416.6 g/mol |
| Molecular Formula | C27H44O3 |
| Exact Mass | 416.329045 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HcPS1v2wiZO |
|---|---|
| Name | 2-BETA-3-BETA-DIHYDROXY-5-BETA-CHOLEST-7-EN-6-ONE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44O3 |
| InChI | InChI=1S/C27H44O3/c1-16(2)7-6-8-17(3)19-9-10-20-18-13-23(28)22-14-24(29)25(30)15-27(22,5)21(18)11-12-26(19,20)4/h13,16-17,19-22,24-25,29-30H,6-12,14-15H2,1-5H3/t17-,19-,20+,21+,22+,24-,25+,26-,27-/m1/s1 |
| InChIKey | VAQVBVTYAWVYLZ-KXXAZSGSSA-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 | 416.645 g/mol |
| Solvent | PYRIDINE |
| Source File Reference | UNIW3952 |