| SpectraBase Compound ID | 3DgsWcaSkZC |
|---|---|
| InChI | InChI=1S/C42H48N4O4/c1-21(47)29-18-48-19-30-24(29)14-36-41-27(17-34(30)43(36)3)23-11-12-38-28(39(23)46(41)6)13-32-25-15-37-40-26(22-9-7-8-10-33(22)45(40)5)16-35(44(37)4)31(25)20-49-42(32,2)50-38/h7-12,18,24-25,30-32,34-37H,13-17,19-20H2,1-6H3/t24-,25+,30+,31+,32-,34-,35-,36-,37-,42-/m0/s1 |
| InChIKey | DNJGHPRRCVYEAK-USFITAIASA-N |
| Mol Weight | 672.9 g/mol |
| Molecular Formula | C42H48N4O4 |
| Exact Mass | 672.367556 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KNKuYrFMYHX |
|---|---|
| Name | LUMUTININE_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H48N4O4 |
| InChI | InChI=1S/C42H48N4O4/c1-21(47)29-18-48-19-30-24(29)14-36-41-27(17-34(30)43(36)3)23-11-12-38-28(39(23)46(41)6)13-32-25-15-37-40-26(22-9-7-8-10-33(22)45(40)5)16-35(44(37)4)31(25)20-49-42(32,2)50-38/h7-12,18,24-25,30-32,34-37H,13-17,19-20H2,1-6H3/t24-,25+,30+,31+,32-,34-,35-,36-,37-,42-/m0/s1 |
| InChIKey | DNJGHPRRCVYEAK-USFITAIASA-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 | 672.868 g/mol |
| Sample ID | 39652 |
| Solvent | CDCl3 |