| SpectraBase Compound ID | Hia5vpPze9T |
|---|---|
| InChI | InChI=1S/C44H54N4O6/c1-7-24-17-23-20-43(41(49)52-5)38-28(15-16-48(21-23)39(24)43)27-13-14-33(51-4)35(37(27)46-38)30-18-31-25(8-2)40-47(3)34(44(31,22-54-40)42(50)53-6)19-29-26-11-9-10-12-32(26)45-36(29)30/h9-14,23-25,30-31,34,39-40,45-46H,7-8,15-22H2,1-6H3/t23-,24+,25+,30-,31+,34+,39+,40+,43-,44+/m1/s1 |
| InChIKey | XAEKOWDMKQTQIB-OSPUDILZSA-N |
| Mol Weight | 734.9 g/mol |
| Molecular Formula | C44H54N4O6 |
| Exact Mass | 734.404335 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5RWDZZYSl40 |
|---|---|
| Name | TABERNARICATINE_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H54N4O6 |
| InChI | InChI=1S/C44H54N4O6/c1-7-24-17-23-20-43(41(49)52-5)38-28(15-16-48(21-23)39(24)43)27-13-14-33(51-4)35(37(27)46-38)30-18-31-25(8-2)40-47(3)34(44(31,22-54-40)42(50)53-6)19-29-26-11-9-10-12-32(26)45-36(29)30/h9-14,23-25,30-31,34,39-40,45-46H,7-8,15-22H2,1-6H3/t23-,24+,25+,30-,31+,34+,39+,40+,43-,44+/m1/s1 |
| InChIKey | XAEKOWDMKQTQIB-OSPUDILZSA-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 | 734.936 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWMZ43008 |