| SpectraBase Compound ID | EBuGCjRwCx8 |
|---|---|
| InChI | InChI=1S/C39H59N7O15.C2HF3O2/c1-6-18(3)25(33(50)46-26(35(52)53)19(4)7-2)45-34(51)27(44-24(47)11-9-8-10-21(40)16-20-12-14-22(58-5)15-13-20)30(23-17-42-39(57)43-23)59-37-29(49)28(48)31(61-38(41)56)32(60-37)36(54)55;3-2(4,5)1(6)7/h12-15,17-19,21,25-32,37,48-49H,6-11,16,40H2,1-5H3,(H2,41,56)(H,44,47)(H,45,51)(H,46,50)(H,52,53)(H,54,55)(H2,42,43,57);(H,6,7)/t18-,19+,21?,25-,26+,27+,28+,29+,30-,31-,32+,37+;/m0./s1 |
| InChIKey | JNYWBCZFQOLINX-FRGCNPRYSA-N |
| Mol Weight | 979.958 g/mol |
| Molecular Formula | C41H60F3N7O17 |
| Exact Mass | 979.399778 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H6dy7ub0DF1 |
|---|---|
| Name | CITRONAMIDE_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H60F3N7O17 |
| InChI | InChI=1S/C39H59N7O15.C2HF3O2/c1-6-18(3)25(33(50)46-26(35(52)53)19(4)7-2)45-34(51)27(44-24(47)11-9-8-10-21(40)16-20-12-14-22(58-5)15-13-20)30(23-17-42-39(57)43-23)59-37-29(49)28(48)31(61-38(41)56)32(60-37)36(54)55;3-2(4,5)1(6)7/h12-15,17-19,21,25-32,37,48-49H,6-11,16,40H2,1-5H3,(H2,41,56)(H,44,47)(H,45,51)(H,46,50)(H,52,53)(H,54,55)(H2,42,43,57);(H,6,7)/t18-,19+,21?,25-,26+,27+,28+,29+,30-,31-,32+,37+;/m0./s1 |
| InChIKey | JNYWBCZFQOLINX-FRGCNPRYSA-N |
| Literature Reference Author | A.R.CARROLL,S.DUFFY,V.M.AVERY |
| Literature Reference Citation | J.NAT.PROD.,72,764(2009) |
| Literature Reference DOI | 10.1021/np800832w |
| Molecular Weight | 979.959 g/mol |
| Sample ID | 32492 |
| Solvent | DMSO-D6 |