| SpectraBase Compound ID | 1V2JhyMUuNl |
|---|---|
| InChI | InChI=1S/C40H30O26/c41-12-1-8(2-13(42)23(12)47)34(55)66-38-33-32-31(65-39(59)40(60)6-17(46)24(48)22(40)21-11(37(58)64-33)5-16(45)27(51)30(21)54)18(62-38)7-61-35(56)9-3-14(43)25(49)28(52)19(9)20-10(36(57)63-32)4-15(44)26(50)29(20)53/h1-5,17-18,22,31-33,38,41-47,49-54,60H,6-7H2/t17?,18-,22?,31-,32+,33-,38+,40+/m0/s1 |
| InChIKey | XCUHVJOOUUWHHO-IQSYSYFASA-N |
| Mol Weight | 926.7 g/mol |
| Molecular Formula | C40H30O26 |
| Exact Mass | 926.102531 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | pfNBKqusxV |
|---|---|
| Name | PELARGONIIN-A |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H30O26 |
| InChI | InChI=1S/C40H30O26/c41-12-1-8(2-13(42)23(12)47)34(55)66-38-33-32-31(65-39(59)40(60)6-17(46)24(48)22(40)21-11(37(58)64-33)5-16(45)27(51)30(21)54)18(62-38)7-61-35(56)9-3-14(43)25(49)28(52)19(9)20-10(36(57)63-32)4-15(44)26(50)29(20)53/h1-5,17-18,22,31-33,38,41-47,49-54,60H,6-7H2/t17?,18-,22?,31-,32+,33-,38+,40+/m0/s1 |
| InChIKey | XCUHVJOOUUWHHO-IQSYSYFASA-N |
| Literature Reference Author | K.P.LATTE,H.KOLODZIEJ |
| Literature Reference Citation | PHYTOCHEM.,54,701(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(00)00176-X |
| Molecular Weight | 926.663 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU1413 |