| SpectraBase Compound ID | 4j5dJVK84kl |
|---|---|
| InChI | InChI=1S/C48H32O31/c49-15-1-9(2-21(27(15)55)74-38-14(42(66)67)7-20(54)32(60)37(38)65)43(68)79-48-41-40(77-46(71)12-5-18(52)30(58)35(63)25(12)26-13(47(72)78-41)6-19(53)31(59)36(26)64)39-22(75-48)8-73-44(69)10-3-16(50)28(56)33(61)23(10)24-11(45(70)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 | MUAWJMQXPARDMP-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 | 2s2BKhN8WJN |
|---|---|
| Name | AGRIMONIC-ACID-A |
| Compound Number | XI |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H32O31 |
| InChI | InChI=1S/C48H32O31/c49-15-1-9(2-21(27(15)55)74-38-14(42(66)67)7-20(54)32(60)37(38)65)43(68)79-48-41-40(77-46(71)12-5-18(52)30(58)35(63)25(12)26-13(47(72)78-41)6-19(53)31(59)36(26)64)39-22(75-48)8-73-44(69)10-3-16(50)28(56)33(61)23(10)24-11(45(70)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 | MUAWJMQXPARDMP-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 | UWPA2013 |