| SpectraBase Compound ID | 6myUsnnFruX |
|---|---|
| InChI | InChI=1S/C52H84ClN7O19/c1-13-21(3)37-48(73)54-18-35(67)55-26(8)38(49(74)60-40(51(76)58-37)30-16-32(65)24(6)42(69)36(30)53)59-47(72)27(9)56-50(75)39(28(10)62)57-34(66)17-31(64)22(4)14-20(2)15-23(5)41(68)25(7)45(29(11)63)79-52-44(71)43(70)46(77-12)33(19-61)78-52/h16,20-23,25-29,33,37-41,43-46,52,61-63,65,68-71H,13-15,17-19H2,1-12H3,(H,54,73)(H,55,67)(H,56,75)(H,57,66)(H,58,76)(H,59,72)(H,60,74)/t20?,21-,22?,23-,25-,26+,27?,28+,29+,33+,37-,38-,39+,40+,41+,43+,44+,45-,46+,52-/m0/s1 |
| InChIKey | VQJONPIPGATABZ-QWWLQRPUSA-N |
| Mol Weight | 1146.7 g/mol |
| Molecular Formula | C52H84ClN7O19 |
| Exact Mass | 1145.551051 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1twSBif9epm |
|---|---|
| Name | TOTOPOTENSAMIDE_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H84ClN7O19 |
| InChI | InChI=1S/C52H84ClN7O19/c1-13-21(3)37-48(73)54-18-35(67)55-26(8)38(49(74)60-40(51(76)58-37)30-16-32(65)24(6)42(69)36(30)53)59-47(72)27(9)56-50(75)39(28(10)62)57-34(66)17-31(64)22(4)14-20(2)15-23(5)41(68)25(7)45(29(11)63)79-52-44(71)43(70)46(77-12)33(19-61)78-52/h16,20-23,25-29,33,37-41,43-46,52,61-63,65,68-71H,13-15,17-19H2,1-12H3,(H,54,73)(H,55,67)(H,56,75)(H,57,66)(H,58,76)(H,59,72)(H,60,74)/t20?,21-,22?,23-,25-,26+,27?,28+,29+,33+,37-,38-,39+,40+,41+,43+,44+,45-,46+,52-/m0/s1 |
| InChIKey | VQJONPIPGATABZ-QWWLQRPUSA-N |
| Literature Reference Author | Z.LIN,M.FLORES,I.FORTEZA,N.M.HENRIKSEN,G.P.CONCEPCION,G.ROSE NBERG,M.G.HAYGOOD,B. |
| Literature Reference Citation | J.NAT.PROD.,75,644(2012) |
| Literature Reference DOI | 10.1021/np200886x |
| Molecular Weight | 1146.727 g/mol |
| Sample ID | 40261 |
| Solvent | DMSO-D6 |