| SpectraBase Compound ID | BxLkLhhclrn |
|---|---|
| InChI | InChI=1S/C34H48N2O10/c1-7-36(41)16-31(17-46-29(38)19-10-8-9-11-22(19)35-18(2)37)13-12-24(43-4)33-21-14-20-23(42-3)15-32(39,25(21)26(20)44-5)34(40,30(33)36)28(45-6)27(31)33/h8-11,20-21,23-28,30,39-40H,7,12-17H2,1-6H3,(H,35,37)/t20-,21-,23+,24+,25-,26+,27-,28+,30?,31+,32-,33+,34-,36-/m1/s1 |
| InChIKey | KXOAOXOLDNPKMN-VHAZUMFKSA-N |
| Mol Weight | 644.8 g/mol |
| Molecular Formula | C34H48N2O10 |
| Exact Mass | 644.330896 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lfuul1Vr19p |
|---|---|
| Name | AJACINE-N-OXIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H48N2O10 |
| InChI | InChI=1S/C34H48N2O10/c1-7-36(41)16-31(17-46-29(38)19-10-8-9-11-22(19)35-18(2)37)13-12-24(43-4)33-21-14-20-23(42-3)15-32(39,25(21)26(20)44-5)34(40,30(33)36)28(45-6)27(31)33/h8-11,20-21,23-28,30,39-40H,7,12-17H2,1-6H3,(H,35,37)/t20-,21-,23+,24+,25-,26+,27-,28+,30?,31+,32-,33+,34-,36-/m1/s1 |
| InChIKey | KXOAOXOLDNPKMN-VHAZUMFKSA-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 | 644.763 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVP6487 |