| SpectraBase Compound ID | 2Us2XiMaFpS |
|---|---|
| InChI | InChI=1S/C36H44O22/c1-11(38)49-6-13-3-17(40)23-15(8-52-33(21(13)23)57-35-29(45)27(43)25(41)19(5-37)55-35)31(47)51-10-20-26(42)28(44)30(46)36(56-20)58-34-22-14(7-50-12(2)39)4-18-24(22)16(9-53-34)32(48)54-18/h3-4,8-9,17-30,33-37,40-46H,5-7,10H2,1-2H3/t17-,18+,19-,20-,21+,22-,23-,24+,25-,26-,27+,28+,29-,30-,33-,34+,35+,36+/m0/s1 |
| InChIKey | BFJACKWATUXTOO-GFVJKJLASA-N |
| Mol Weight | 828.7 g/mol |
| Molecular Formula | C36H44O22 |
| Exact Mass | 828.232423 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | dGiDcxJkoI |
|---|---|
| Name | IRIDOID-DIMER-OF-ASPERULOSIDE-AND-ASPERULOSIDIC-ACID |
| Compound Number | 399 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H44O22 |
| InChI | InChI=1S/C36H44O22/c1-11(38)49-6-13-3-17(40)23-15(8-52-33(21(13)23)57-35-29(45)27(43)25(41)19(5-37)55-35)31(47)51-10-20-26(42)28(44)30(46)36(56-20)58-34-22-14(7-50-12(2)39)4-18-24(22)16(9-53-34)32(48)54-18/h3-4,8-9,17-30,33-37,40-46H,5-7,10H2,1-2H3/t17-,18+,19-,20-,21+,22-,23-,24+,25-,26-,27+,28+,29-,30-,33-,34+,35+,36+/m0/s1 |
| InChIKey | BFJACKWATUXTOO-GFVJKJLASA-N |
| Literature Reference Author | B.DINDA,S.DEBNATH,Y.HARIGAYA |
| Literature Reference Citation | CHEM.PHARM.BULL.,55,159(2007) |
| Literature Reference DOI | 10.1248/cpb.55.159 |
| Molecular Weight | 828.732 g/mol |
| Sample ID | 38193 |
| Solvent | CD3OD |