| SpectraBase Compound ID | IqeJ2VquMy7 |
|---|---|
| InChI | InChI=1S/C42H58O22/c1-5-18-21(24(37(53)54)14-58-39(18)63-41-35(51)33(49)31(47)27(10-43)61-41)8-29(45)56-12-16(3)20-7-26-17(4)23(20)13-57-30(46)9-22-19(6-2)40(59-15-25(22)38(55)60-26)64-42-36(52)34(50)32(48)28(11-44)62-42/h5-6,14-17,20-23,26-28,31-36,39-44,47-52H,7-13H2,1-4H3,(H,53,54)/b18-5-,19-6-/t16?,17-,20+,21?,22+,23-,26-,27+,28+,31+,32+,33-,34-,35+,36+,39+,40+,41-,42-/m1/s1 |
| InChIKey | OPZTXHFMEBABIP-YNDZXOIVSA-N |
| Mol Weight | 914.9 g/mol |
| Molecular Formula | C42H58O22 |
| Exact Mass | 914.341973 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FL8Stn2uksN |
|---|---|
| Name | JASMOSIDIC-ACID |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H58O22 |
| InChI | InChI=1S/C42H58O22/c1-5-18-21(24(37(53)54)14-58-39(18)63-41-35(51)33(49)31(47)27(10-43)61-41)8-29(45)56-12-16(3)20-7-26-17(4)23(20)13-57-30(46)9-22-19(6-2)40(59-15-25(22)38(55)60-26)64-42-36(52)34(50)32(48)28(11-44)62-42/h5-6,14-17,20-23,26-28,31-36,39-44,47-52H,7-13H2,1-4H3,(H,53,54)/b18-5-,19-6-/t16?,17-,20+,21?,22+,23-,26-,27+,28+,31+,32+,33-,34-,35+,36+,39+,40+,41-,42-/m1/s1 |
| InChIKey | OPZTXHFMEBABIP-YNDZXOIVSA-N |
| Literature Reference Author | K.INOUE,T.FUJITA,H.INOUYE,H.KUWAJIMA,K.TAKAISHI,T.TANAHASHI, N.NAGAKURA,Y.ASAKA, |
| Literature Reference Citation | PHYTOCHEM.,30,1191(1991) |
| Literature Reference DOI | 10.1016/S0031-9422(00)95201-4 |
| Molecular Weight | 914.909 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU34209 |