| SpectraBase Compound ID | 6F8dedT0eWw |
|---|---|
| InChI | InChI=1S/C42H48O14/c1-21(2)40(52-27(8)46)33-23(4)41-30-20-22(3)32(49-24(5)43)39(30,48)37(51-26(7)45)38(9,55-36(47)28-16-12-10-13-17-28)34(50-25(6)44)31(41)35(40)54-42(53-33,56-41)29-18-14-11-15-19-29/h10-19,22-23,30-35,37,48H,1,20H2,2-9H3/t22-,23+,30+,31-,32-,33-,34-,35+,37+,38+,39+,40-,41-,42-/m0/s1 |
| InChIKey | BTNJSRCXHFOKQC-PONCKXPWSA-N |
| Mol Weight | 776.8 g/mol |
| Molecular Formula | C42H48O14 |
| Exact Mass | 776.304406 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | FsS9PobBygU |
|---|---|
| Name | TRIGOXYPHIN_E |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H48O14 |
| InChI | InChI=1S/C42H48O14/c1-21(2)40(52-27(8)46)33-23(4)41-30-20-22(3)32(49-24(5)43)39(30,48)37(51-26(7)45)38(9,55-36(47)28-16-12-10-13-17-28)34(50-25(6)44)31(41)35(40)54-42(53-33,56-41)29-18-14-11-15-19-29/h10-19,22-23,30-35,37,48H,1,20H2,2-9H3/t22-,23+,30+,31-,32-,33-,34-,35+,37+,38+,39+,40-,41-,42-/m0/s1 |
| InChIKey | BTNJSRCXHFOKQC-PONCKXPWSA-N |
| Literature Reference Author | B.D.LIN,M.L.HAN,Y.C.JI,H.D.CHEN,S.P.YANG,S.ZHANG,M.Y.GENG,J. M.YUE |
| Literature Reference Citation | J.NAT.PROD.,73,1301(2010) |
| Literature Reference DOI | 10.1021/np100320h |
| Molecular Weight | 776.835 g/mol |
| Sample ID | 36499 |
| Solvent | CDCl3 |