| SpectraBase Compound ID | 7GNkByipEDK |
|---|---|
| InChI | InChI=1S/C39H57Br4N3O8/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-33(48)45-25-32(47)27-22-28(40)36(29(41)23-27)52-21-18-20-44-38(50)34-37(49)39(54-46-34)24-30(42)35(51-2)31(43)26-53-39/h22-23,26,32,37,47,49H,3-21,24-25H2,1-2H3,(H,44,50)(H,45,48)/t32?,37-,39+/m0/s1 |
| InChIKey | BRNRVUHUVNUTHT-QKPBTXOTSA-N |
| Mol Weight | 1015.5 g/mol |
| Molecular Formula | C39H57Br4N3O8 |
| Exact Mass | 1011.087918 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 801iNUoPlNC |
|---|---|
| Name | 19-HYDROXYPSAMMAPLYSIN_P |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H57Br4N3O8 |
| InChI | InChI=1S/C39H57Br4N3O8/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-33(48)45-25-32(47)27-22-28(40)36(29(41)23-27)52-21-18-20-44-38(50)34-37(49)39(54-46-34)24-30(42)35(51-2)31(43)26-53-39/h22-23,26,32,37,47,49H,3-21,24-25H2,1-2H3,(H,44,50)(H,45,48)/t32?,37-,39+/m0/s1 |
| InChIKey | BRNRVUHUVNUTHT-QKPBTXOTSA-N |
| Literature Reference Author | I.W.MUDIANTA,T.SKINNER-ADAMS,K.T.ANDREWS,R.A.DAVIS,T.A.HADI, P.Y.HAYES,M.J.GARSON |
| Literature Reference Citation | J.NAT.PROD.,75,2132(2012) |
| Literature Reference DOI | 10.1021/np300560b |
| Molecular Weight | 1015.513 g/mol |
| Sample ID | 41721 |
| Solvent | CDCl3 |