| SpectraBase Compound ID | 7hLo89qL6ul |
|---|---|
| InChI | InChI=1S/C35H53NO5/c1-10-21(2)16-26(7)33-27(8)18-24(5)31(37)22(3)17-23(4)32(38)25(6)19-28(9)34(39)36-30(35(40)41-33)20-29-14-12-11-13-15-29/h11-15,17-19,21-22,25-27,30-33,37-38H,10,16,20H2,1-9H3,(H,36,39)/b23-17+,24-18+,28-19+/t21-,22-,25-,26+,27+,30-,31+,32-,33+/m0/s1 |
| InChIKey | GBWYSPYPUUAVKR-QAYKUJEASA-N |
| Mol Weight | 567.8 g/mol |
| Molecular Formula | C35H53NO5 |
| Exact Mass | 567.392374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8bO44VPfkJQ |
|---|---|
| Name | METACRIDAMIDE_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H53NO5 |
| InChI | InChI=1S/C35H53NO5/c1-10-21(2)16-26(7)33-27(8)18-24(5)31(37)22(3)17-23(4)32(38)25(6)19-28(9)34(39)36-30(35(40)41-33)20-29-14-12-11-13-15-29/h11-15,17-19,21-22,25-27,30-33,37-38H,10,16,20H2,1-9H3,(H,36,39)/b23-17+,24-18+,28-19+/t21-,22-,25-,26+,27+,30-,31+,32-,33+/m0/s1 |
| InChIKey | GBWYSPYPUUAVKR-QAYKUJEASA-N |
| Literature Reference Author | S.B.KRASNOFF,U.ENGLICH,P.G.MILLER,M.L.SHULER,R.P.GLAHN,B.G.G .DONZELLI,D.M.GIBSON |
| Literature Reference Citation | J.NAT.PROD.,75,175(2012) |
| Literature Reference DOI | 10.1021/np2007044 |
| Molecular Weight | 567.810 g/mol |
| Sample ID | 39801 |
| Solvent | CD3OD |