| SpectraBase Compound ID | Jizs6eahXsT |
|---|---|
| InChI | InChI=1S/C38H54O6/c1-21-14-15-35(5)16-17-36(6)24-11-13-28-34(3,4)29(40)19-30(41)38(28,8)31(24)27(20-37(36,7)32(35)22(21)2)44-33(42)23-10-12-25(39)26(18-23)43-9/h10-12,18,21-22,27-29,31-32,39-40H,13-17,19-20H2,1-9H3/t21-,22+,27-,28+,29-,31-,32-,35-,36-,37+,38-/m1/s1 |
| InChIKey | STAOIKRGAZXLNS-UINZKZHZSA-N |
| Mol Weight | 606.8 g/mol |
| Molecular Formula | C38H54O6 |
| Exact Mass | 606.392039 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5augtga0BcB |
|---|---|
| Name | 3-ALPHA-HYDROXY-11-ALPHA-(4'-HYDROXY-3'-METHOXY)-BENZOYLOXYBAUER-1-ONE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H54O6 |
| InChI | InChI=1S/C38H54O6/c1-21-14-15-35(5)16-17-36(6)24-11-13-28-34(3,4)29(40)19-30(41)38(28,8)31(24)27(20-37(36,7)32(35)22(21)2)44-33(42)23-10-12-25(39)26(18-23)43-9/h10-12,18,21-22,27-29,31-32,39-40H,13-17,19-20H2,1-9H3/t21-,22+,27-,28+,29-,31-,32-,35-,36-,37+,38-/m1/s1 |
| InChIKey | STAOIKRGAZXLNS-UINZKZHZSA-N |
| Literature Reference Author | D.WANG,M.XIA,Z.CUI |
| Literature Reference Citation | CHEM.PHARM.BULL.,54,775(2006) |
| Literature Reference DOI | 10.1248/cpb.54.775 |
| Molecular Weight | 606.843 g/mol |
| Sample ID | 54848 |
| Solvent | CDCl3 |