| SpectraBase Compound ID | JM88gbFXUtB |
|---|---|
| InChI | InChI=1S/C33H46O17/c1-15(2)9-27(40)50-32-28-23(10-25(45-18(5)36)24(28)13-41-16(3)34)22(11-43-32)12-44-33-31(48-21(8)39)30(47-20(7)38)29(46-19(6)37)26(49-33)14-42-17(4)35/h11,15,23-26,28-33H,9-10,12-14H2,1-8H3/t23?,24?,25?,26-,28?,29-,30+,31-,32?,33-/m0/s1 |
| InChIKey | IXQJBAACUFJRBS-XQHOWARXSA-N |
| Mol Weight | 714.7 g/mol |
| Molecular Formula | C33H46O17 |
| Exact Mass | 714.2735 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KVQBgIxMyHD |
|---|---|
| Name | Patrinoside hexaacetate |
| Comments | C16 SIGNAL ASSIGNED TO 61.5 PPM |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C33H46O17 |
| InChI | InChI=1S/C33H46O17/c1-15(2)9-27(40)50-32-28-23(10-25(45-18(5)36)24(28)13-41-16(3)34)22(11-43-32)12-44-33-31(48-21(8)39)30(47-20(7)38)29(46-19(6)37)26(49-33)14-42-17(4)35/h11,15,23-26,28-33H,9-10,12-14H2,1-8H3/t23?,24?,25?,26-,28?,29-,30+,31-,32?,33-/m0/s1 |
| InChIKey | IXQJBAACUFJRBS-XQHOWARXSA-N |
| Literature Reference | S. Damtoft, S. Jensen, Phytochem. 20, 2717 (1981). |
| NMR Standard | see comment |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |