| SpectraBase Compound ID | ATBM0w1ij9x |
|---|---|
| InChI | InChI=1S/C46H76O12/c1-15-35-33(9)57-45(53-13,25-37(35)51-11)31(7)41(49)29(5)43-27(3)21-17-19-24-40(48)56-44(28(4)22-18-20-23-39(47)55-43)30(6)42(50)32(8)46(54-14)26-38(52-12)36(16-2)34(10)58-46/h17-24,27-38,41-44,49-50H,15-16,25-26H2,1-14H3/b21-17-,22-18-,23-20-,24-19-/t27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,41+,42+,43-,44-,45-,46-/m0/s1 |
| InChIKey | MDSJIWJLEKEJNW-LNKNTPBVSA-N |
| Mol Weight | 821.1 g/mol |
| Molecular Formula | C46H76O12 |
| Exact Mass | 820.533678 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A8X9qFPnzLY |
|---|---|
| Name | 11,13,11',13'-TETRA-O-METHYL-ELAIOLIDE |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H76O12 |
| InChI | InChI=1S/C46H76O12/c1-15-35-33(9)57-45(53-13,25-37(35)51-11)31(7)41(49)29(5)43-27(3)21-17-19-24-40(48)56-44(28(4)22-18-20-23-39(47)55-43)30(6)42(50)32(8)46(54-14)26-38(52-12)36(16-2)34(10)58-46/h17-24,27-38,41-44,49-50H,15-16,25-26H2,1-14H3/b21-17-,22-18-,23-20-,24-19-/t27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,41+,42+,43-,44-,45-,46-/m0/s1 |
| InChIKey | MDSJIWJLEKEJNW-LNKNTPBVSA-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 | 821.102 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS19914 |