| SpectraBase Compound ID | G3qKhmF3B3t |
|---|---|
| InChI | InChI=1S/C48H32O31/c49-15-1-9(42(66)67)2-21(27(15)55)74-38-14(7-20(54)32(60)37(38)65)47(72)79-48-41-40(77-45(70)12-5-18(52)30(58)35(63)25(12)26-13(46(71)78-41)6-19(53)31(59)36(26)64)39-22(75-48)8-73-43(68)10-3-16(50)28(56)33(61)23(10)24-11(44(69)76-39)4-17(51)29(57)34(24)62/h1-7,22,39-41,48-65H,8H2,(H,66,67)/t22-,39-,40+,41-,48-/m1/s1 |
| InChIKey | WGJXEOWVZFMOMC-DNXXSLJZSA-N |
| Mol Weight | 1104.8 g/mol |
| Molecular Formula | C48H32O31 |
| Exact Mass | 1104.092754 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bt5LVGTEtJL |
|---|---|
| Name | AGRIMONIC-ACID-B |
| Compound Number | XII |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H32O31 |
| InChI | InChI=1S/C48H32O31/c49-15-1-9(42(66)67)2-21(27(15)55)74-38-14(7-20(54)32(60)37(38)65)47(72)79-48-41-40(77-45(70)12-5-18(52)30(58)35(63)25(12)26-13(46(71)78-41)6-19(53)31(59)36(26)64)39-22(75-48)8-73-43(68)10-3-16(50)28(56)33(61)23(10)24-11(44(69)76-39)4-17(51)29(57)34(24)62/h1-7,22,39-41,48-65H,8H2,(H,66,67)/t22-,39-,40+,41-,48-/m1/s1 |
| InChIKey | WGJXEOWVZFMOMC-DNXXSLJZSA-N |
| Literature Reference Author | D.N.OLENNIKOV,N.I.KASHCHENKO,N.K.CHIRIKOVA,S.S.KUZMINA |
| Literature Reference Citation | MOLECULES,20,224(2015) |
| Literature Reference DOI | 10.3390/molecules20010224 |
| Molecular Weight | 1104.763 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWPA2014 |