| SpectraBase Compound ID | BPsxPTkUwQ1 |
|---|---|
| InChI | InChI=1S/C40H54N2O11/c1-8-41-18-37(19-52-35(46)22-11-9-10-12-25(22)42-28(43)15-21(4)33(42)44)14-13-27(50-6)39-24-16-23-26(49-5)17-38(47,29(24)30(23)53-34(45)20(2)3)40(48,36(39)41)32(51-7)31(37)39/h9-12,20-21,23-24,26-27,29-32,36,47-48H,8,13-19H2,1-7H3/t21?,23-,24?,26+,27+,29?,30+,31?,32+,36?,37+,38-,39+,40-/m1/s1 |
| InChIKey | XHBNFOLVAHXXMZ-ACYQDFESSA-N |
| Mol Weight | 738.9 g/mol |
| Molecular Formula | C40H54N2O11 |
| Exact Mass | 738.372761 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FYzFg3FndLj |
|---|---|
| Name | 14-DEACETYL-14-ISO-BUTYRYL-NUDICAULINE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H54N2O11 |
| InChI | InChI=1S/C40H54N2O11/c1-8-41-18-37(19-52-35(46)22-11-9-10-12-25(22)42-28(43)15-21(4)33(42)44)14-13-27(50-6)39-24-16-23-26(49-5)17-38(47,29(24)30(23)53-34(45)20(2)3)40(48,36(39)41)32(51-7)31(37)39/h9-12,20-21,23-24,26-27,29-32,36,47-48H,8,13-19H2,1-7H3/t21?,23-,24?,26+,27+,29?,30+,31?,32+,36?,37+,38-,39+,40-/m1/s1 |
| InChIKey | XHBNFOLVAHXXMZ-ACYQDFESSA-N |
| Literature Reference Author | P.M.SHRESTHA,A.KATZ |
| Literature Reference Citation | J.NAT.PROD.,63,2(2000) |
| Literature Reference DOI | 10.1021/np990250x |
| Molecular Weight | 738.876 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU1617 |