| SpectraBase Compound ID | AtN8AX1aenE |
|---|---|
| InChI | InChI=1S/C41H58O14/c1-11-37(6,49)34(46)36(48)51-20-38(7)27-16-30(54-35(47)33(45)21(2)3)40(9)26-13-12-25(24-14-15-50-19-24)39(26,8)29(52-22(4)42)17-28(40)41(27,10)31(53-23(5)43)18-32(44)55-38/h13-15,19,21,25,27-31,33-34,45-46,49H,11-12,16-18,20H2,1-10H3/t25-,27-,28-,29-,30+,31-,33?,34?,37?,38+,39-,40-,41-/m0/s1 |
| InChIKey | UMSDVYJDIIBTJE-SFYMGOHXSA-N |
| Mol Weight | 774.9 g/mol |
| Molecular Formula | C41H58O14 |
| Exact Mass | 774.382657 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BXlIqkubp7L |
|---|---|
| Name | RUBRALIN_D |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H58O14 |
| InChI | InChI=1S/C41H58O14/c1-11-37(6,49)34(46)36(48)51-20-38(7)27-16-30(54-35(47)33(45)21(2)3)40(9)26-13-12-25(24-14-15-50-19-24)39(26,8)29(52-22(4)42)17-28(40)41(27,10)31(53-23(5)43)18-32(44)55-38/h13-15,19,21,25,27-31,33-34,45-46,49H,11-12,16-18,20H2,1-10H3/t25-,27-,28-,29-,30+,31-,33?,34?,37?,38+,39-,40-,41-/m0/s1 |
| InChIKey | UMSDVYJDIIBTJE-SFYMGOHXSA-N |
| Literature Reference Author | L.G.LIN,C.P.TANG,C.Q.KE,Y.ZHANG,Y.YE |
| Literature Reference Citation | J.NAT.PROD.,71,628(2008) |
| Literature Reference DOI | 10.1021/np070674o |
| Molecular Weight | 774.903 g/mol |
| Sample ID | 28137 |
| Solvent | CDCl3 |