| SpectraBase Compound ID | 2VwSp7acBWy |
|---|---|
| InChI | InChI=1S/C27H30O16/c1-8-15(31)19(35)21(37)26(39-8)40-12-6-11(30)14-18(34)25(43-27-22(38)20(36)16(32)13(7-28)41-27)23(42-24(14)17(12)33)9-2-4-10(29)5-3-9/h2-6,8,13,15-16,19-22,26-33,35-38H,7H2,1H3/t8-,13-,15-,16-,19+,20+,21+,22-,26-,27+/m1/s1 |
| InChIKey | QYECIBJZFSVSHH-OPZSAEIJSA-N |
| Mol Weight | 610.52 g/mol |
| Molecular Formula | C27H30O16 |
| Exact Mass | 610.153385 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CtfnUwOl1PD |
|---|---|
| Name | SINOCRASSOSIDE-C1;HERBACETIN-3-O-BETA-D-GLUCOPYRANOSYL-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 | C27H30O16 |
| InChI | InChI=1S/C27H30O16/c1-8-15(31)19(35)21(37)26(39-8)40-12-6-11(30)14-18(34)25(43-27-22(38)20(36)16(32)13(7-28)41-27)23(42-24(14)17(12)33)9-2-4-10(29)5-3-9/h2-6,8,13,15-16,19-22,26-33,35-38H,7H2,1H3/t8-,13-,15-,16-,19+,20+,21+,22-,26-,27+/m1/s1 |
| InChIKey | QYECIBJZFSVSHH-OPZSAEIJSA-N |
| Literature Reference Author | T.MORIKAWA,H.XIE,T.WANG,H.MATSUDA,M.YOSHIKAWA |
| Literature Reference Citation | CHEM.PHARM.BULL.,56,1438(2008) |
| Literature Reference DOI | 10.1248/cpb.56.1438 |
| Molecular Weight | 610.526 g/mol |
| Sample ID | 2281 |
| Solvent | DMSO-D6 |