| SpectraBase Compound ID | AktcNhgjCR3 |
|---|---|
| InChI | InChI=1S/C47H58N4O7/c1-8-26-17-28-22-46(44(54)57-6)42-30(14-15-51(43(26)46)38(28)16-25(3)53)31-18-32(39(56-5)21-37(31)49-42)33-19-35-27(9-2)23-50(4)40(47(35,24-52)45(55)58-7)20-34-29-12-10-11-13-36(29)48-41(33)34/h9-13,18,21,26,28,33,35,38,40,43,48-49,52H,8,14-17,19-20,22-24H2,1-7H3/b27-9-/t26-,28-,33+,35+,38+,40-,43+,46+,47-/m0/s1 |
| InChIKey | JHEBBBNPEPLRCT-GXJSPZGGSA-N |
| Mol Weight | 791.0 g/mol |
| Molecular Formula | C47H58N4O7 |
| Exact Mass | 790.43055 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CEwjZ3bFDsO |
|---|---|
| Name | TABERNARICATINE_E |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H58N4O7 |
| InChI | InChI=1S/C47H58N4O7/c1-8-26-17-28-22-46(44(54)57-6)42-30(14-15-51(43(26)46)38(28)16-25(3)53)31-18-32(39(56-5)21-37(31)49-42)33-19-35-27(9-2)23-50(4)40(47(35,24-52)45(55)58-7)20-34-29-12-10-11-13-36(29)48-41(33)34/h9-13,18,21,26,28,33,35,38,40,43,48-49,52H,8,14-17,19-20,22-24H2,1-7H3/b27-9-/t26-,28-,33+,35+,38+,40-,43+,46+,47-/m0/s1 |
| InChIKey | JHEBBBNPEPLRCT-GXJSPZGGSA-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 | 791.000 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWMZ43011 |