| SpectraBase Compound ID | DY0ONIa9JuU |
|---|---|
| InChI | InChI=1S/C30H35N5O6/c1-18(2)25(33-27(36)19(3)34-40)30(39)35-16-14-24-26(35)29(38)32-23(17-21-7-5-4-6-8-21)28(37)31-15-13-20-9-11-22(41-24)12-10-20/h4-13,15,18,23-26,40H,14,16-17H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)/b15-13-,34-19+/t23-,24-,25-,26-/m0/s1 |
| InChIKey | FADRDHDLIJSOGO-FVLGKSNVSA-N |
| Mol Weight | 561.6 g/mol |
| Molecular Formula | C30H35N5O6 |
| Exact Mass | 561.258734 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5idPxISxVXS |
|---|---|
| Name | APETALINE_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H34N5O6 |
| InChI | InChI=1S/C30H35N5O6/c1-18(2)25(33-27(36)19(3)34-40)30(39)35-16-14-24-26(35)29(38)32-23(17-21-7-5-4-6-8-21)28(37)31-15-13-20-9-11-22(41-24)12-10-20/h4-13,15,18,23-26,40H,14,16-17H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)/b15-13-,34-19+/t23-,24-,25-,26-/m0/s1 |
| InChIKey | FADRDHDLIJSOGO-FVLGKSNVSA-N |
| Literature Reference Author | J.HAN,C.J.JI,W.J.HE,Y.SHEN,Y.LENG,W.Y.XU,J.T.FAN,G.Z.ZENG,L. D.KONG,N.H.TAN |
| Literature Reference Citation | J.NAT.PROD.,74,2571(2011) |
| Literature Reference DOI | 10.1021/np200755t |
| Molecular Weight | 560.630 g/mol |
| Sample ID | 39666 |
| Solvent | CDCl3 |