| SpectraBase Compound ID | BUbkfC3n8uu |
|---|---|
| InChI | InChI=1S/C41H48N4O3/c1-6-21-18-45-34-17-27-38-26-13-30-24-15-35-39-25(22-9-7-8-10-31(22)43(39)4)16-33(42(35)3)29(24)20-47-41(30,2)48-37(26)12-11-32(38)44(5)40(27)36(45)14-23(21)28(34)19-46/h6-12,23-24,28-30,33-36,46H,13-20H2,1-5H3/b21-6-/t23-,24+,28+,29+,30-,33-,34-,35-,36-,41-/m0/s1 |
| InChIKey | ZUIDZDKAJCEORF-ULABYDFRSA-N |
| Mol Weight | 644.9 g/mol |
| Molecular Formula | C41H48N4O3 |
| Exact Mass | 644.372641 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J39Z1iH3T8u |
|---|---|
| Name | MARCALSTONIDINE |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H48N4O3 |
| InChI | InChI=1S/C41H48N4O3/c1-6-21-18-45-34-17-27-38-26-13-30-24-15-35-39-25(22-9-7-8-10-31(22)43(39)4)16-33(42(35)3)29(24)20-47-41(30,2)48-37(26)12-11-32(38)44(5)40(27)36(45)14-23(21)28(34)19-46/h6-12,23-24,28-30,33-36,46H,13-20H2,1-5H3/b21-6-/t23-,24+,28+,29+,30-,33-,34-,35-,36-,41-/m0/s1 |
| InChIKey | ZUIDZDKAJCEORF-ULABYDFRSA-N |
| Literature Reference Author | S.H.LIM,S.J.TAN,Y.Y.LOW,T.S.KAM |
| Literature Reference Citation | J.NAT.PROD.,74,2556(2011) |
| Literature Reference DOI | 10.1021/np200730j |
| Molecular Weight | 644.857 g/mol |
| Sample ID | 39655 |
| Solvent | CDCl3 |