| SpectraBase Compound ID | IDDj7743TOY |
|---|---|
| InChI | InChI=1S/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(40)13-18(2)30(38)41)12-11-24(39)35-21-14-20-23(45-3)15-34(43,26(21)27(20)46-4)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,39,43-44H,6,11-17H2,1-5H3/t18?,20-,21-,23+,24+,26-,27+,28-,29+,32?,33+,34-,35+,36-/m1/s1 |
| InChIKey | KPRGJDVXJLTFLK-FPHKUYHXSA-N |
| Mol Weight | 668.8 g/mol |
| Molecular Formula | C36H48N2O10 |
| Exact Mass | 668.330896 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KtYPe4sCC2x |
|---|---|
| Name | GRANDIFLORINE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H48N2O10 |
| InChI | InChI=1S/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(40)13-18(2)30(38)41)12-11-24(39)35-21-14-20-23(45-3)15-34(43,26(21)27(20)46-4)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,39,43-44H,6,11-17H2,1-5H3/t18?,20-,21-,23+,24+,26-,27+,28-,29+,32?,33+,34-,35+,36-/m1/s1 |
| InChIKey | KPRGJDVXJLTFLK-FPHKUYHXSA-N |
| Literature Reference Author | G.D.MANNERS,K.E.PANTER,J.A.PFISTER,M.H.RALPHS,L.F.JAMES |
| Literature Reference Citation | J.NAT.PROD.,61,1086(1998) |
| Literature Reference DOI | 10.1021/np980013e |
| Molecular Weight | 668.785 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP2124 |