| SpectraBase Compound ID | 6wGMCEH22Ku |
|---|---|
| InChI | InChI=1S/C44H52N4O6/c1-6-25-16-24-19-43(41(49)52-4)39-29(14-15-47(20-24)40(25)43)28-12-13-34(51-3)36(38(28)46-39)31-17-32-26(7-2)21-48-23-54-22-44(32,42(50)53-5)35(48)18-30-27-10-8-9-11-33(27)45-37(30)31/h7-13,24-25,31-32,35,40,45-46H,6,14-23H2,1-5H3/b26-7-/t24-,25+,31-,32-,35+,40+,43-,44+/m1/s1 |
| InChIKey | AJTOVFUSGVYEBU-LZVKHARMSA-N |
| Mol Weight | 732.9 g/mol |
| Molecular Formula | C44H52N4O6 |
| Exact Mass | 732.388685 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7kMadgRBUp8 |
|---|---|
| Name | TABERNARICATINE_D |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H52N4O6 |
| InChI | InChI=1S/C44H52N4O6/c1-6-25-16-24-19-43(41(49)52-4)39-29(14-15-47(20-24)40(25)43)28-12-13-34(51-3)36(38(28)46-39)31-17-32-26(7-2)21-48-23-54-22-44(32,42(50)53-5)35(48)18-30-27-10-8-9-11-33(27)45-37(30)31/h7-13,24-25,31-32,35,40,45-46H,6,14-23H2,1-5H3/b26-7-/t24-,25+,31-,32-,35+,40+,43-,44+/m1/s1 |
| InChIKey | AJTOVFUSGVYEBU-LZVKHARMSA-N |
| Literature Reference Author | M.F.BAO,J.M.YAN,G.G.CHENG,X.Y.LI,Y.P.LIU,Y.LI,X.H.CAI,X.D.LU O |
| Literature Reference Citation | J.NAT.PROD.,76,1406(2013) |
| Literature Reference DOI | 10.1021/np400130y |
| Molecular Weight | 732.920 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWMZ43009 |