| SpectraBase Compound ID | uWMBQpO2EE |
|---|---|
| InChI | InChI=1S/C36H56N8O9/c1-7-21(6)31-36(53)42-27(18-45)34(51)43-30(20(4)5)35(52)40-23(14-19(2)3)16-38-26(15-22-8-10-24(46)11-9-22)32(49)39-17-29(48)41-25(33(50)44-31)12-13-28(37)47/h8-11,16,19-21,23,25-27,30-31,45-46H,7,12-15,17-18H2,1-6H3,(H2,37,47)(H,39,49)(H,40,52)(H,41,48)(H,42,53)(H,43,51)(H,44,50)/b38-16+/t21-,23+,25+,26-,27-,30-,31-/m0/s1 |
| InChIKey | HJKXQQVDTIEFDD-QCTWFTFXSA-N |
| Mol Weight | 744.9 g/mol |
| Molecular Formula | C36H56N8O9 |
| Exact Mass | 744.417025 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6PTgzYrAnDr |
|---|---|
| Name | SCYTONEMIDE_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H56N8O9 |
| InChI | InChI=1S/C36H56N8O9/c1-7-21(6)31-36(53)42-27(18-45)34(51)43-30(20(4)5)35(52)40-23(14-19(2)3)16-38-26(15-22-8-10-24(46)11-9-22)32(49)39-17-29(48)41-25(33(50)44-31)12-13-28(37)47/h8-11,16,19-21,23,25-27,30-31,45-46H,7,12-15,17-18H2,1-6H3,(H2,37,47)(H,39,49)(H,40,52)(H,41,48)(H,42,53)(H,43,51)(H,44,50)/b38-16+/t21-,23+,25+,26-,27-,30-,31-/m0/s1 |
| InChIKey | HJKXQQVDTIEFDD-QCTWFTFXSA-N |
| Literature Reference Author | A.KRUNIC,A.VALLAT,S.MO,D.D.LANTVIT,S.M.SWANSON,J.ORJALA |
| Literature Reference Citation | J.NAT.PROD.,73,1927(2010) |
| Literature Reference DOI | 10.1021/np100600z |
| Molecular Weight | 744.889 g/mol |
| Sample ID | 37097 |
| Solvent | DMSO-D6 |