| SpectraBase Compound ID | GhAWRYfT1US |
|---|---|
| InChI | InChI=1S/C40H46O9/c1-22(2)26(6)34(43)48-33-24(4)19-38-25(5)20-39(49-36(45)28-16-12-9-13-17-28)30(29(32(38)42)18-23(3)31(41)40(33,38)46)37(39,7)21-47-35(44)27-14-10-8-11-15-27/h8-19,22,25-26,29-31,33,41,46H,20-21H2,1-7H3/t25-,26?,29+,30-,31-,33+,37+,38+,39+,40+/m1/s1 |
| InChIKey | NJTVEQAFXQUTID-KQNYPWCGSA-N |
| Mol Weight | 670.8 g/mol |
| Molecular Formula | C40H46O9 |
| Exact Mass | 670.314183 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 372bzFS0TgD |
|---|---|
| Name | 13,17-DIBENZOYLOXY-3-O-(2,3-DIMETHYLBUTANOYL)-20-DEOXYINGENOL |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H46O9 |
| InChI | InChI=1S/C40H46O9/c1-22(2)26(6)34(43)48-33-24(4)19-38-25(5)20-39(49-36(45)28-16-12-9-13-17-28)30(29(32(38)42)18-23(3)31(41)40(33,38)46)37(39,7)21-47-35(44)27-14-10-8-11-15-27/h8-19,22,25-26,29-31,33,41,46H,20-21H2,1-7H3/t25-,26?,29+,30-,31-,33+,37+,38+,39+,40+/m1/s1 |
| InChIKey | NJTVEQAFXQUTID-KQNYPWCGSA-N |
| Literature Reference Author | Z.Q.LU,M.YANG,J.Q.ZHANG,G.T.CHEN,H.L.HUANG,S.H.GUAN,C.MA,X.L IU,D.A.GUO |
| Literature Reference Citation | PHYTOCHEM.,69,812(2008) |
| Literature Reference DOI | 10.1016/j.phytochem.2007.09.013 |
| Molecular Weight | 670.800 g/mol |
| Sample ID | 42744 |
| Solvent | CDCl3 |