| SpectraBase Compound ID | 3WAb8rKJwWM |
|---|---|
| InChI | InChI=1S/C44H72O12/c1-13-33-31(9)55-43(49,23-35(33)51-11)29(7)39(47)27(5)41-25(3)19-15-17-22-38(46)54-42(26(4)20-16-18-21-37(45)53-41)28(6)40(48)30(8)44(50)24-36(52-12)34(14-2)32(10)56-44/h15-22,25-36,39-42,47-50H,13-14,23-24H2,1-12H3/b19-15-,20-16-,21-18-,22-17-/t25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,39+,40+,41-,42-,43-,44-/m0/s1 |
| InChIKey | SFPWBFPQLOQALP-FGAYZKAHSA-N |
| Mol Weight | 793.0 g/mol |
| Molecular Formula | C44H72O12 |
| Exact Mass | 792.502378 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5r7lvGRjENL |
|---|---|
| Name | 13,13'-DI-O-METHYL-ELAIOLIDE |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H72O12 |
| InChI | InChI=1S/C44H72O12/c1-13-33-31(9)55-43(49,23-35(33)51-11)29(7)39(47)27(5)41-25(3)19-15-17-22-38(46)54-42(26(4)20-16-18-21-37(45)53-41)28(6)40(48)30(8)44(50)24-36(52-12)34(14-2)32(10)56-44/h15-22,25-36,39-42,47-50H,13-14,23-24H2,1-12H3/b19-15-,20-16-,21-18-,22-17-/t25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,39+,40+,41-,42-,43-,44-/m0/s1 |
| InChIKey | SFPWBFPQLOQALP-FGAYZKAHSA-N |
| Literature Reference Author | K.U.BINDSEIL,A.ZEECK |
| Literature Reference Citation | J.ORG.CHEM.,58,5487(1993) |
| Literature Reference DOI | 10.1021/jo00072a036 |
| Molecular Weight | 793.048 g/mol |
| Solvent | C6D6 |
| Source File Reference | UWCS19915 |