![COCOSAMIDE_A;1,6-ANHYDRO-[DHOEA-VAL-N-ME-PHE-(1)-PRO-N-ME-PHE-(2)-GLY]](/api/spectrum/2VGcQeFULsm/structure.png?h=300&w=458 "COCOSAMIDE_A;1,6-ANHYDRO-[DHOEA-VAL-N-ME-PHE-(1)-PRO-N-ME-PHE-(2)-GLY]")
| SpectraBase Compound ID | IQGW31WReiz |
|---|---|
| InChI | InChI=1S/C42H57N5O7/c1-8-9-12-23-34-42(4,5)41(53)44-36(28(2)3)40(52)46(7)33(26-30-20-15-11-16-21-30)39(51)47-24-17-22-31(47)38(50)45(6)32(25-29-18-13-10-14-19-29)37(49)43-27-35(48)54-34/h8,10-11,13-16,18-21,28,31-34,36H,1,9,12,17,22-27H2,2-7H3,(H,43,49)(H,44,53)/t31-,32-,33-,34-,36-/m0/s1 |
| InChIKey | DYRQQWGTDVBUND-NRYNYGQJSA-N |
| Mol Weight | 743.9 g/mol |
| Molecular Formula | C42H57N5O7 |
| Exact Mass | 743.425799 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2VGcQeFULsm |
|---|---|
| Name | COCOSAMIDE_A;1,6-ANHYDRO-[DHOEA-VAL-N-ME-PHE-(1)-PRO-N-ME-PHE-(2)-GLY] |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H57N5O7 |
| InChI | InChI=1S/C42H57N5O7/c1-8-9-12-23-34-42(4,5)41(53)44-36(28(2)3)40(52)46(7)33(26-30-20-15-11-16-21-30)39(51)47-24-17-22-31(47)38(50)45(6)32(25-29-18-13-10-14-19-29)37(49)43-27-35(48)54-34/h8,10-11,13-16,18-21,28,31-34,36H,1,9,12,17,22-27H2,2-7H3,(H,43,49)(H,44,53)/t31-,32-,33-,34-,36-/m0/s1 |
| InChIKey | DYRQQWGTDVBUND-NRYNYGQJSA-N |
| Literature Reference Author | S.P.GUNASEKERA,C.S.OWLE,R.MONTASER,H.LUESCH,V.J.PAUL |
| Literature Reference Citation | J.NAT.PROD.,74,871(2011) |
| Literature Reference DOI | 10.1021/np1008015 |
| Molecular Weight | 743.944 g/mol |
| Sample ID | 38020 |
| Solvent | CDCl3 |