| SpectraBase Compound ID | Ai8bCygwRcL |
|---|---|
| InChI | InChI=1S/C33H42O19/c34-12-32(44)14-48-30(27(32)42)47-11-22-25(51-23(40)6-3-16-1-4-18(36)20(38)9-16)26(52-31-28(43)33(45,13-35)15-49-31)24(41)29(50-22)46-8-7-17-2-5-19(37)21(39)10-17/h1-6,9-10,22,24-31,34-39,41-45H,7-8,11-15H2/b6-3+/t22-,24-,25-,26-,27+,28+,29-,30-,31+,32-,33-/m0/s1 |
| InChIKey | ORKGRQIRNWXJMV-QWCQGTOVSA-N |
| Mol Weight | 742.7 g/mol |
| Molecular Formula | C33H42O19 |
| Exact Mass | 742.232029 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2OHPYkdQtL2 |
|---|---|
| Name | A 3,6-GLYCOSYL SUBSTITUTED VERBASCOSIDE; 2-(3,4-DIHYDROXYPHENYL)ETHYL-4-CAFFEOYL-beta-D-(3-O,6-O-DI-APIOSYL)-GLUCOPYRANOSIDE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C33H42O19 |
| InChI | InChI=1S/C33H42O19/c34-12-32(44)14-48-30(27(32)42)47-11-22-25(51-23(40)6-3-16-1-4-18(36)20(38)9-16)26(52-31-28(43)33(45,13-35)15-49-31)24(41)29(50-22)46-8-7-17-2-5-19(37)21(39)10-17/h1-6,9-10,22,24-31,34-39,41-45H,7-8,11-15H2/b6-3+/t22-,24-,25-,26-,27+,28+,29-,30-,31+,32-,33-/m0/s1 |
| InChIKey | ORKGRQIRNWXJMV-QWCQGTOVSA-N |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |