| SpectraBase Compound ID | FiZUjycM9yP |
|---|---|
| InChI | InChI=1S/C28H44N2O14/c1-12-10-18(22(27(37)38-12)29-14(3)31)41-21-9-8-16(24(44-21)26(35)36)43-28-23(30-15(4)32)19(11-13(2)39-28)42-20-7-5-6-17(40-20)25(33)34/h12-13,16-24,27-28,37H,5-11H2,1-4H3,(H,29,31)(H,30,32)(H,33,34)(H,35,36)/t12-,13+,16+,17+,18+,19-,20+,21-,22-,23+,24+,27+,28-/m0/s1 |
| InChIKey | JBRABUULARKMFP-UWWRGPOJSA-N |
| Mol Weight | 632.7 g/mol |
| Molecular Formula | C28H44N2O14 |
| Exact Mass | 632.279254 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IO59Er20e40 |
|---|---|
| Name | ALPHA-ISOMER |
| Compound Number | HA4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H44N2O14 |
| InChI | InChI=1S/C28H44N2O14/c1-12-10-18(22(27(37)38-12)29-14(3)31)41-21-9-8-16(24(44-21)26(35)36)43-28-23(30-15(4)32)19(11-13(2)39-28)42-20-7-5-6-17(40-20)25(33)34/h12-13,16-24,27-28,37H,5-11H2,1-4H3,(H,29,31)(H,30,32)(H,33,34)(H,35,36)/t12-,13+,16+,17+,18+,19-,20+,21-,22-,23+,24+,27+,28-/m0/s1 |
| InChIKey | JBRABUULARKMFP-UWWRGPOJSA-N |
| Literature Reference Author | S.A.COLEBROOKE,C.D.BLUNDELL,P.L.DEANGELIS,I.D.CAMPBELL,A.ALM OND |
| Literature Reference Citation | MAGN.RES.CHEM.,43,805(2005) |
| Literature Reference DOI | 10.1002/mrc.1620 |
| Molecular Weight | 632.662 g/mol |
| Sample ID | 32747 |
| Solvent | Unknown |