| SpectraBase Compound ID | IAIG9iGHnzS |
|---|---|
| InChI | InChI=1S/C61H74O30/c1-14-39-40(43(58(72)75-13)25-80-59(39)91-61-57(86-36(10)70)55(84-34(8)68)53(82-32(6)66)48(89-61)27-79-30(4)64)23-49(71)76-19-15-16-37-20-41-42(24-77-28(2)62)50(90-51(41)46(21-37)74-12)38-17-18-44(45(22-38)73-11)87-60-56(85-35(9)69)54(83-33(7)67)52(81-31(5)65)47(88-60)26-78-29(3)63/h14,17-18,20-22,25,40,42,47-48,50,52-57,59-61H,15-16,19,23-24,26-27H2,1-13H3/b39-14-/t40-,42+,47-,48-,50-,52-,53-,54+,55+,56-,57-,59-,60-,61+/m0/s1 |
| InChIKey | PJYLUGJNAFHEAU-QMPHQKKHSA-N |
| Mol Weight | 1287.2 g/mol |
| Molecular Formula | C61H74O30 |
| Exact Mass | 1286.426491 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | VGIOC1fYn4 |
|---|---|
| Name | JASUROLIGNOSIDE-NONAACETATE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C61H74O30 |
| InChI | InChI=1S/C61H74O30/c1-14-39-40(43(58(72)75-13)25-80-59(39)91-61-57(86-36(10)70)55(84-34(8)68)53(82-32(6)66)48(89-61)27-79-30(4)64)23-49(71)76-19-15-16-37-20-41-42(24-77-28(2)62)50(90-51(41)46(21-37)74-12)38-17-18-44(45(22-38)73-11)87-60-56(85-35(9)69)54(83-33(7)67)52(81-31(5)65)47(88-60)26-78-29(3)63/h14,17-18,20-22,25,40,42,47-48,50,52-57,59-61H,15-16,19,23-24,26-27H2,1-13H3/b39-14-/t40-,42+,47-,48-,50-,52-,53-,54+,55+,56-,57-,59-,60-,61+/m0/s1 |
| InChIKey | PJYLUGJNAFHEAU-QMPHQKKHSA-N |
| Literature Reference Author | Y.C.SHEN,P.W.HSIEH,Y.H.KUO |
| Literature Reference Citation | PHYTOCHEM.,48,719(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00032-6 |
| Molecular Weight | 1287.241 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS1173 |