| SpectraBase Compound ID | CSuiypF8Fmq |
|---|---|
| InChI | InChI=1S/C30H42N2O7/c1-5-32-15-27(39-26(33)16-8-6-7-9-19(16)31)11-10-23(37-3)29-21(27)13-18(24(29)32)28(34)14-20(36-2)17-12-22(29)30(28,35)25(17)38-4/h6-9,17-18,20-25,34-35H,5,10-15,31H2,1-4H3/t17-,18?,20+,21-,22+,23+,24?,25+,27-,28+,29+,30+/m1/s1 |
| InChIKey | VSUODASNSRJNCP-GCMKIGLUSA-N |
| Mol Weight | 542.7 g/mol |
| Molecular Formula | C30H42N2O7 |
| Exact Mass | 542.299202 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Imx0TJB8cRC |
|---|---|
| Name | N-DEACETYLLAPPACONITINE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H42N2O7 |
| InChI | InChI=1S/C30H42N2O7/c1-5-32-15-27(39-26(33)16-8-6-7-9-19(16)31)11-10-23(37-3)29-21(27)13-18(24(29)32)28(34)14-20(36-2)17-12-22(29)30(28,35)25(17)38-4/h6-9,17-18,20-25,34-35H,5,10-15,31H2,1-4H3/t17-,18?,20+,21-,22+,23+,24?,25+,27-,28+,29+,30+/m1/s1 |
| InChIKey | VSUODASNSRJNCP-GCMKIGLUSA-N |
| Literature Reference Author | Y.BAI,H.K.DESAI,S.W.PELLETIER |
| Literature Reference Citation | J.NAT.PROD.,58,929(1995) |
| Literature Reference DOI | 10.1021/np50120a018 |
| Molecular Weight | 542.673 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVP6501 |