| SpectraBase Compound ID | LfUaLC6WhUM |
|---|---|
| InChI | InChI=1S/C28H46N2O19/c1-7-15(35)19(39)20(40)27(43-7)48-23-14(30-9(3)34)25-42-6-12(46-25)22(23)47-28-21(41)24(17(37)11(5-32)45-28)49-26-13(29-8(2)33)18(38)16(36)10(4-31)44-26/h7,10-28,31-32,35-41H,4-6H2,1-3H3,(H,29,33)(H,30,34)/t7-,10+,11+,12+,13+,14-,15+,16-,17-,18+,19+,20-,21+,22+,23+,24-,25-,26+,27+,28-/m1/s1 |
| InChIKey | ODCCYCSFVQOWGJ-AVJVBOCRSA-N |
| Mol Weight | 714.7 g/mol |
| Molecular Formula | C28H46N2O19 |
| Exact Mass | 714.269477 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HpQqWV3oJK3 |
|---|---|
| Name | ODCCYCSFVQOWGJ-AVJVBOCRSA-N |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H46N2O19 |
| InChI | InChI=1S/C28H46N2O19/c1-7-15(35)19(39)20(40)27(43-7)48-23-14(30-9(3)34)25-42-6-12(46-25)22(23)47-28-21(41)24(17(37)11(5-32)45-28)49-26-13(29-8(2)33)18(38)16(36)10(4-31)44-26/h7,10-28,31-32,35-41H,4-6H2,1-3H3,(H,29,33)(H,30,34)/t7-,10+,11+,12+,13+,14-,15+,16-,17-,18+,19+,20-,21+,22+,23+,24-,25-,26+,27+,28-/m1/s1 |
| InChIKey | ODCCYCSFVQOWGJ-AVJVBOCRSA-N |
| Literature Reference Author | J.M.COTERON,K.SINGH,J.L.ASENSIO,M.DOMINGUEZ-DALDA,A.FERNANDE Z-MAYORALAS,J.JIMENE |
| Literature Reference Citation | J.ORG.CHEM.,60,1502(1995) |
| Literature Reference DOI | 10.1021/jo00111a008 |
| Molecular Weight | 714.675 g/mol |
| Solvent | D2O |
| Source File Reference | UWRU3365 |