| SpectraBase Compound ID | 64zTQXbfVtI |
|---|---|
| InChI | InChI=1S/C38H56O10/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-35-46-32-28-31-34(22-39,45-31)33(42)36(43)27(21-24(4)29(36)41)38(28,48-35)25(5)30(44-26(6)40)37(32,47-35)23(2)3/h19-21,25,27-28,30-33,39,42-43H,2,7-18,22H2,1,3-6H3/b20-19+/t25-,27-,28?,30-,31+,32-,33-,34+,35-,36-,37+,38+/m1/s1 |
| InChIKey | MDZJGGUQWHZDTA-PDJHBNOJSA-N |
| Mol Weight | 672.9 g/mol |
| Molecular Formula | C38H56O10 |
| Exact Mass | 672.387348 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5OiCZ9YDfee |
|---|---|
| Name | 5-BETA-HYDROXYRESINIFERONOL-6-ALPHA,7-ALPHA-EPOXY-12-BETA-ACETOXY-9,13,14-ORTHO-2E-HEXADECENOATE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H56O10 |
| InChI | InChI=1S/C38H56O10/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-35-46-32-28-31-34(22-39,45-31)33(42)36(43)27(21-24(4)29(36)41)38(28,48-35)25(5)30(44-26(6)40)37(32,47-35)23(2)3/h19-21,25,27-28,30-33,39,42-43H,2,7-18,22H2,1,3-6H3/b20-19+/t25-,27-,28?,30-,31+,32-,33-,34+,35-,36-,37+,38+/m1/s1 |
| InChIKey | MDZJGGUQWHZDTA-PDJHBNOJSA-N |
| Literature Reference Author | W.HE,M.CIK,L.V.PUYVELDE,J.V.DUN,G.APPENDINO,A.LESAGE,I.V.D.L INDIN,J.E.LEYSEN,W.W |
| Literature Reference Citation | BIOORG.MED.CHEM.,10,3245(2002) |
| Literature Reference DOI | 10.1016/S0968-0896(02)00163-3 |
| Molecular Weight | 672.857 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI24322 |