| SpectraBase Compound ID | Kqn6iwOt16V |
|---|---|
| InChI | InChI=1S/C28H30O16/c1-9-19(33)22(36)24(38)27(40-9)41-12-6-15(32)18-16(7-12)42-25(11-3-4-13(30)14(31)5-11)26(21(18)35)44-28-23(37)20(34)17(43-28)8-39-10(2)29/h3-7,9,17,19-20,22-24,27-28,30-34,36-38H,8H2,1-2H3/t9-,17+,19-,20+,22+,23-,24+,27-,28+/m1/s1 |
| InChIKey | OOPWMKCGDCIMMA-BOTDHUAHSA-N |
| Mol Weight | 622.53 g/mol |
| Molecular Formula | C28H30O16 |
| Exact Mass | 622.153385 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 13TRwBcl1PO |
|---|---|
| Name | CISSOSIDE-III;QUERCETIN-3-O-ALPHA-L-(5''-O-ACETYL)-ARABINOFURANOSYL-7-O-ALPHA-L-RHAMNOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H30O16 |
| InChI | InChI=1S/C28H30O16/c1-9-19(33)22(36)24(38)27(40-9)41-12-6-15(32)18-16(7-12)42-25(11-3-4-13(30)14(31)5-11)26(21(18)35)44-28-23(37)20(34)17(43-28)8-39-10(2)29/h3-7,9,17,19-20,22-24,27-28,30-34,36-38H,8H2,1-2H3/t9-,17+,19-,20+,22+,23-,24+,27-,28+/m1/s1 |
| InChIKey | OOPWMKCGDCIMMA-BOTDHUAHSA-N |
| Literature Reference Author | F.XU,H.MATSUDA,H.HATA,K.SUGAWARA,S.NAKAMURA,M.YOSHIKAWA |
| Literature Reference Citation | CHEM.PHARM.BULL.,57,1089(2009) |
| Literature Reference DOI | 10.1248/cpb.57.1089 |
| Molecular Weight | 622.537 g/mol |
| Sample ID | 2932 |
| Solvent | C5D5N |