| SpectraBase Compound ID | FAjqOsWyAfQ |
|---|---|
| InChI | InChI=1S/C52H80N10O12/c1-28(2)24-39-48(68)60-40(25-29(3)4)49(69)61-43(51(72)73)33(8)45(65)57-37(18-15-23-55-52(53)54)47(67)56-36(20-19-30(5)26-31(6)41(74-11)27-35-16-13-12-14-17-35)32(7)44(64)58-38(50(70)71)21-22-42(63)62(10)34(9)46(66)59-39/h12-14,16-17,19-20,26,28-29,31-33,36-41,43H,9,15,18,21-25,27H2,1-8,10-11H3,(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,60,68)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b20-19+,30-26+/t31-,32-,33-,36-,37-,38+,39+,40+,41-,43+/m0/s1 |
| InChIKey | PYRKYAINAPVHFV-DSWWQXQTSA-N |
| Mol Weight | 1037.3 g/mol |
| Molecular Formula | C52H80N10O12 |
| Exact Mass | 1036.595718 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3O4GvjCgfq1 |
|---|---|
| Name | PYRKYAINAPVHFV-DSWWQXQTSA-N |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H80N10O12 |
| InChI | InChI=1S/C52H80N10O12/c1-28(2)24-39-48(68)60-40(25-29(3)4)49(69)61-43(51(72)73)33(8)45(65)57-37(18-15-23-55-52(53)54)47(67)56-36(20-19-30(5)26-31(6)41(74-11)27-35-16-13-12-14-17-35)32(7)44(64)58-38(50(70)71)21-22-42(63)62(10)34(9)46(66)59-39/h12-14,16-17,19-20,26,28-29,31-33,36-41,43H,9,15,18,21-25,27H2,1-8,10-11H3,(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,60,68)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b20-19+,30-26+/t31-,32-,33-,36-,37-,38+,39+,40+,41-,43+/m0/s1 |
| InChIKey | PYRKYAINAPVHFV-DSWWQXQTSA-N |
| Literature Reference Author | H.PARK,M.NAMIKOSHI,S.M.BRITTAIN,W.W.CARMICHAEL,T.MURPHY |
| Literature Reference Citation | TOXICON,39,855(2001) |
| Literature Reference DOI | 10.1016/s0041-0101(00)00224-5 |
| Molecular Weight | 1037.267 g/mol |
| Sample ID | 73406 |
| Solvent | DMSO-D6 |