| SpectraBase Compound ID | EG10rqUQDMe |
|---|---|
| InChI | InChI=1S/C36H48O19/c1-16-26(41)28(43)30(45)36(52-16)55-33-31(46)35(49-11-10-18-5-8-20(38)23(13-18)48-3)53-24(32(33)54-34-29(44)27(42)21(39)14-51-34)15-50-25(40)9-6-17-4-7-19(37)22(12-17)47-2/h4-9,12-13,16,21,24,26-39,41-46H,10-11,14-15H2,1-3H3/b9-6+/t16-,21-,24+,26-,27-,28+,29+,30+,31+,32+,33+,34+,35+,36+/m1/s1 |
| InChIKey | QKSDWGRVKWJPQJ-WTYHNRFDSA-N |
| Mol Weight | 784.8 g/mol |
| Molecular Formula | C36H48O19 |
| Exact Mass | 784.278979 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IXtlxf3XauM |
|---|---|
| Name | PEDICULARIOSIDE I |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C36H48O19 |
| InChI | InChI=1S/C36H48O19/c1-16-26(41)28(43)30(45)36(52-16)55-33-31(46)35(49-11-10-18-5-8-20(38)23(13-18)48-3)53-24(32(33)54-34-29(44)27(42)21(39)14-51-34)15-50-25(40)9-6-17-4-7-19(37)22(12-17)47-2/h4-9,12-13,16,21,24,26-39,41-46H,10-11,14-15H2,1-3H3/b9-6+/t16-,21-,24+,26-,27-,28+,29+,30+,31+,32+,33+,34+,35+,36+/m1/s1 |
| InChIKey | QKSDWGRVKWJPQJ-WTYHNRFDSA-N |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |