| SpectraBase Compound ID | DMSih3w8tqO |
|---|---|
| InChI | InChI=1S/C34H61N5O7/c1-11-12-13-14-15-21(6)17-22(7)29-23(8)30(41)35-18-27(40)39-28(20(4)5)33(44)38-26(16-19(2)3)32(43)36-24(9)31(42)37-25(10)34(45)46-29/h19-26,28-29H,11-18H2,1-10H3,(H,35,41)(H,36,43)(H,37,42)(H,38,44)(H,39,40)/t21-,22-,23+,24-,25-,26-,28-,29+/m0/s1 |
| InChIKey | MBENBNLUEFQFSL-BFKPYXRSSA-N |
| Mol Weight | 651.9 g/mol |
| Molecular Formula | C34H61N5O7 |
| Exact Mass | 651.457099 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IC47FmYLRmG |
|---|---|
| Name | EMERICELLAMIDE_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H61N5O7 |
| InChI | InChI=1S/C34H61N5O7/c1-11-12-13-14-15-21(6)17-22(7)29-23(8)30(41)35-18-27(40)39-28(20(4)5)33(44)38-26(16-19(2)3)32(43)36-24(9)31(42)37-25(10)34(45)46-29/h19-26,28-29H,11-18H2,1-10H3,(H,35,41)(H,36,43)(H,37,42)(H,38,44)(H,39,40)/t21-,22-,23+,24-,25-,26-,28-,29+/m0/s1 |
| InChIKey | MBENBNLUEFQFSL-BFKPYXRSSA-N |
| Literature Reference Author | D.C.OH,C.A.KAUFFMAN,P.R.JENSEN,W.FENICAL |
| Literature Reference Citation | J.NAT.PROD.,70,515(2007) |
| Literature Reference DOI | 10.1021/np060381f |
| Molecular Weight | 651.888 g/mol |
| Sample ID | 30072 |
| Solvent | DMSO-D6 |