| SpectraBase Compound ID | p85AHUMiM2 |
|---|---|
| InChI | InChI=1S/C33H54O6/c1-20(2)10-9-11-21(3)27-12-13-28-26-18-30(38-23(5)35)33(39-24(6)36)19-25(37-22(4)34)14-17-32(33,8)29(26)15-16-31(27,28)7/h20-21,25-30H,9-19H2,1-8H3/t21-,25+,26+,27-,28+,29+,30-,31-,32-,33+/m1/s1 |
| InChIKey | NRIMSGFXGPTUAF-ALIDYZMFSA-N |
| Mol Weight | 546.8 g/mol |
| Molecular Formula | C33H54O6 |
| Exact Mass | 546.392039 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5gjn7H0Cu3a |
|---|---|
| Name | 5-ALPHA-CHOLESTAN-3-BETA-5,6-BETA-TRIOL-TRIACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H54O6 |
| InChI | InChI=1S/C33H54O6/c1-20(2)10-9-11-21(3)27-12-13-28-26-18-30(38-23(5)35)33(39-24(6)36)19-25(37-22(4)34)14-17-32(33,8)29(26)15-16-31(27,28)7/h20-21,25-30H,9-19H2,1-8H3/t21-,25+,26+,27-,28+,29+,30-,31-,32-,33+/m1/s1 |
| InChIKey | NRIMSGFXGPTUAF-ALIDYZMFSA-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 | 546.788 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW1901 |