| SpectraBase Compound ID | 4LRHExGnfer |
|---|---|
| InChI | InChI=1S/C47H52N4O12/c1-8-44-17-23(40(56)59-6)36-46(10-12-49(42(44)46)19-30-38(44)63-30)25-14-22-29(16-27(25)48-36)62-35-31(22)50-13-11-47-26-15-28(54)33(55)34(58-5)32(26)51(20(3)52)37(47)24(41(57)60-7)18-45(9-2,43(47)50)39(35)61-21(4)53/h14-16,30-31,35,38-39,42-43,48,54-55H,8-13,17-19H2,1-7H3/t30-,31-,35+,38-,39-,42+,43+,44-,45-,46?,47+/m1/s1 |
| InChIKey | LQXSKZSPBMHGCM-VXKKPYMDSA-N |
| Mol Weight | 864.9 g/mol |
| Molecular Formula | C47H52N4O12 |
| Exact Mass | 864.358173 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FOkE2sjLEdW |
|---|---|
| Name | LQXSKZSPBMHGCM-VXKKPYMDSA-N |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H52N4O12 |
| InChI | InChI=1S/C47H52N4O12/c1-8-44-17-23(40(56)59-6)36-46(10-12-49(42(44)46)19-30-38(44)63-30)25-14-22-29(16-27(25)48-36)62-35-31(22)50-13-11-47-26-15-28(54)33(55)34(58-5)32(26)51(20(3)52)37(47)24(41(57)60-7)18-45(9-2,43(47)50)39(35)61-21(4)53/h14-16,30-31,35,38-39,42-43,48,54-55H,8-13,17-19H2,1-7H3/t30-,31-,35+,38-,39-,42+,43+,44-,45-,46?,47+/m1/s1 |
| InChIKey | LQXSKZSPBMHGCM-VXKKPYMDSA-N |
| Literature Reference Author | P.CLIVIO,D.GUILLAUME,J.VERCAUTEREN,B.RICHARD,J.M.NUZILLARD,M .ZECHES-HANROT,L.L.M |
| Literature Reference Citation | PHYTOCHEM.,40,953(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00392-K |
| Molecular Weight | 864.949 g/mol |
| Solvent | CDCl3:CD3OD |
| Source File Reference | UWMS2605 |