| SpectraBase Compound ID | GaqnmCfpVwC |
|---|---|
| InChI | InChI=1S/C40H66N4O16/c1-4-21(2)15-13-11-9-7-5-6-8-10-12-14-16-26(48)42-29-33(53)30(50)24(57-39(29)60-38-28(41-22(3)46)32(52)31(51)25(20-45)58-38)19-23(47)36-34(54)35(55)37(59-36)44-18-17-27(49)43-40(44)56/h14,16-18,21,23-25,28-39,45,47,50-55H,4-13,15,19-20H2,1-3H3,(H,41,46)(H,42,48)(H,43,49,56)/b16-14+/t21?,23?,24-,25+,28+,29-,30+,31+,32+,33-,34-,35+,36+,37+,38-,39-/m1/s1 |
| InChIKey | LGVLEFMOJHQPOC-ZWOBMKNFSA-N |
| Mol Weight | 859.0 g/mol |
| Molecular Formula | C40H66N4O16 |
| Exact Mass | 858.447382 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ai9oXa0Xc1S |
|---|---|
| Name | CORYNETOXIN-U-17A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H66N4O16 |
| InChI | InChI=1S/C40H66N4O16/c1-4-21(2)15-13-11-9-7-5-6-8-10-12-14-16-26(48)42-29-33(53)30(50)24(57-39(29)60-38-28(41-22(3)46)32(52)31(51)25(20-45)58-38)19-23(47)36-34(54)35(55)37(59-36)44-18-17-27(49)43-40(44)56/h14,16-18,21,23-25,28-39,45,47,50-55H,4-13,15,19-20H2,1-3H3,(H,41,46)(H,42,48)(H,43,49,56)/b16-14+/t21?,23?,24-,25+,28+,29-,30+,31+,32+,33-,34-,35+,36+,37+,38-,39-/m1/s1 |
| InChIKey | LGVLEFMOJHQPOC-ZWOBMKNFSA-N |
| Literature Reference Author | J.L.FRAHN,J.A.EDGAR,A.J.JONES,P.A.COCKRUM,N.ANDERTON,C.C.J.C ULVENOR |
| Literature Reference Citation | AUSTR.J.CHEM.,37,165(1984) |
| Literature Reference DOI | 10.1071/ch9840165 |
| Molecular Weight | 858.981 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCS9726 |