| SpectraBase Compound ID | A3wQr1u89bC |
|---|---|
| InChI | InChI=1S/C64H91NO20/c1-35-55(67)44(72-8)29-52(76-35)83-57-37(3)78-54(31-46(57)74-10)85-58-38(4)79-53(32-47(58)75-11)84-56-36(2)77-51(30-45(56)73-9)81-43-22-23-60(6)42(28-43)21-24-63(70)48(60)33-49(82-50(66)20-19-40-16-13-12-14-17-40)61(7)62(69,25-26-64(61,63)71)39(5)80-59(68)41-18-15-27-65-34-41/h12-21,27,34-39,43-49,51-58,67,69-71H,22-26,28-33H2,1-11H3/b20-19+/t35-,36-,37-,38-,39-,43+,44-,45+,46+,47-,48-,49-,51+,52+,53+,54+,55+,56-,57-,58+,60+,61-,62-,63+,64-/m1/s1 |
| InChIKey | GNJZLADYVQXRLV-VVNJLJCISA-N |
| Mol Weight | 1194.4 g/mol |
| Molecular Formula | C64H91NO20 |
| Exact Mass | 1193.613444 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LnU8byeB2iQ |
|---|---|
| Name | CYANOAURICULOSIDE-G;2',3'-Z-GAGAMININE-3-O-ALPHA-L-CYMAROPYRANOSYL-(1->4)-ALPHA-L-DIGINOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H91NO20 |
| InChI | InChI=1S/C64H91NO20/c1-35-55(67)44(72-8)29-52(76-35)83-57-37(3)78-54(31-46(57)74-10)85-58-38(4)79-53(32-47(58)75-11)84-56-36(2)77-51(30-45(56)73-9)81-43-22-23-60(6)42(28-43)21-24-63(70)48(60)33-49(82-50(66)20-19-40-16-13-12-14-17-40)61(7)62(69,25-26-64(61,63)71)39(5)80-59(68)41-18-15-27-65-34-41/h12-21,27,34-39,43-49,51-58,67,69-71H,22-26,28-33H2,1-11H3/b20-19+/t35-,36-,37-,38-,39-,43+,44-,45+,46+,47-,48-,49-,51+,52+,53+,54+,55+,56-,57-,58+,60+,61-,62-,63+,64-/m1/s1 |
| InChIKey | GNJZLADYVQXRLV-VVNJLJCISA-N |
| Literature Reference Author | Y.LU,H.L.TENG,G.Z.YANG,Y.N.MEI |
| Literature Reference Citation | MOLECULES,16,1901(2011) |
| Literature Reference DOI | 10.3390/molecules16021901 |
| Molecular Weight | 1194.421 g/mol |
| Sample ID | 2 |
| Solvent | CD3OD |