| SpectraBase Compound ID | 8tpmYeJkXiP |
|---|---|
| InChI | InChI=1S/C44H52N4O7/c1-7-24-16-23-19-42(40(49)52-5)37-27(14-15-48(20-23)38(24)42)26-12-13-31(51-4)34(36(26)46-37)29-17-32-43(41(50)53-6)21-54-39(44(32)22(2)55-44)47(3)33(43)18-28-25-10-8-9-11-30(25)45-35(28)29/h8-13,22-24,29,32-33,38-39,45-46H,7,14-21H2,1-6H3/t22-,23+,24-,29+,32+,33-,38-,39-,42+,43-,44-/m0/s1 |
| InChIKey | KSUDRVNXZGXXLA-JVNCSJPBSA-N |
| Mol Weight | 748.9 g/mol |
| Molecular Formula | C44H52N4O7 |
| Exact Mass | 748.3836 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5OCPGsdPnAy |
|---|---|
| Name | TABERNARICATINE_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H52N4O7 |
| InChI | InChI=1S/C44H52N4O7/c1-7-24-16-23-19-42(40(49)52-5)37-27(14-15-48(20-23)38(24)42)26-12-13-31(51-4)34(36(26)46-37)29-17-32-43(41(50)53-6)21-54-39(44(32)22(2)55-44)47(3)33(43)18-28-25-10-8-9-11-30(25)45-35(28)29/h8-13,22-24,29,32-33,38-39,45-46H,7,14-21H2,1-6H3/t22-,23+,24-,29+,32+,33-,38-,39-,42+,43-,44-/m0/s1 |
| InChIKey | KSUDRVNXZGXXLA-JVNCSJPBSA-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 | 748.919 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWMZ43007 |