| SpectraBase Compound ID | HKZvtabe5M2 |
|---|---|
| InChI | InChI=1S/C31H55N5O7/c1-10-11-12-13-14-19(6)26-20(7)27(38)32-16-24(37)36-25(18(4)5)30(41)35-23(15-17(2)3)29(40)33-21(8)28(39)34-22(9)31(42)43-26/h17-23,25-26H,10-16H2,1-9H3,(H,32,38)(H,33,40)(H,34,39)(H,35,41)(H,36,37)/t19-,20+,21-,22-,23-,25-,26+/m0/s1 |
| InChIKey | QURRTAYEASAREY-OOVPVTRWSA-N |
| Mol Weight | 609.8 g/mol |
| Molecular Formula | C31H55N5O7 |
| Exact Mass | 609.410149 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3uG6ZR7Dx3T |
|---|---|
| Name | EMERICELLAMIDE_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H55N5O7 |
| InChI | InChI=1S/C31H55N5O7/c1-10-11-12-13-14-19(6)26-20(7)27(38)32-16-24(37)36-25(18(4)5)30(41)35-23(15-17(2)3)29(40)33-21(8)28(39)34-22(9)31(42)43-26/h17-23,25-26H,10-16H2,1-9H3,(H,32,38)(H,33,40)(H,34,39)(H,35,41)(H,36,37)/t19-,20+,21-,22-,23-,25-,26+/m0/s1 |
| InChIKey | QURRTAYEASAREY-OOVPVTRWSA-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 | 609.807 g/mol |
| Sample ID | 30071 |
| Solvent | DMSO-D6 |