| SpectraBase Compound ID | 8XmBXaDZNZe |
|---|---|
| InChI | InChI=1S/C31H48O6/c1-18(2)9-8-10-19(3)22-12-14-31(35)24-15-26(34)25-16-27(36-20(4)32)28(37-21(5)33)17-29(25,6)23(24)11-13-30(22,31)7/h15,18-19,22-23,25,27-28,35H,8-14,16-17H2,1-7H3/t19?,22-,23+,25-,27-,28+,29-,30-,31-/m1/s1 |
| InChIKey | VZAJHTBLSWIBRT-CQKCELBJSA-N |
| Mol Weight | 516.7 g/mol |
| Molecular Formula | C31H48O6 |
| Exact Mass | 516.345089 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GyvSaoffmEX |
|---|---|
| Name | 2-BETA-3-BETA-BIS-(ACETYLOXY)-14-HYDROXY-5-ALPHA-CHOLEST-7-EN-6-ONE |
| Compound Number | 233 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H48O6 |
| InChI | InChI=1S/C31H48O6/c1-18(2)9-8-10-19(3)22-12-14-31(35)24-15-26(34)25-16-27(36-20(4)32)28(37-21(5)33)17-29(25,6)23(24)11-13-30(22,31)7/h15,18-19,22-23,25,27-28,35H,8-14,16-17H2,1-7H3/t19?,22-,23+,25-,27-,28+,29-,30-,31-/m1/s1 |
| InChIKey | VZAJHTBLSWIBRT-CQKCELBJSA-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 | 516.719 g/mol |
| Solvent | PYRIDINE |
| Source File Reference | UNIW1879 |