| SpectraBase Compound ID | H1Pw36jxFXr |
|---|---|
| InChI | InChI=1S/C31H36O16/c1-14(32)40-13-22-24(43-16(3)34)25(44-17(4)35)26(46-28(38)18-6-8-19(9-7-18)42-15(2)33)30(45-22)47-29-23-20(10-11-31(23,5)39)21(12-41-29)27(36)37/h6-9,12,20,22-26,29-30,39H,10-11,13H2,1-5H3,(H,36,37)/t20?,22-,23?,24+,25-,26+,29?,30+,31?/m0/s1 |
| InChIKey | ITWQXKDSVVCMBZ-NDLUROMXSA-N |
| Mol Weight | 664.6 g/mol |
| Molecular Formula | C31H36O16 |
| Exact Mass | 664.200335 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ks5N0PtL53n |
|---|---|
| Name | 2'-(4-Hydroxy-benzoyl)-mussaenosidic acid, tetraacetate |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C31H36O16 |
| InChI | InChI=1S/C31H36O16/c1-14(32)40-13-22-24(43-16(3)34)25(44-17(4)35)26(46-28(38)18-6-8-19(9-7-18)42-15(2)33)30(45-22)47-29-23-20(10-11-31(23,5)39)21(12-41-29)27(36)37/h6-9,12,20,22-26,29-30,39H,10-11,13H2,1-5H3,(H,36,37)/t20?,22-,23?,24+,25-,26+,29?,30+,31?/m0/s1 |
| InChIKey | ITWQXKDSVVCMBZ-NDLUROMXSA-N |
| Literature Reference | C. Sehgal, S. Taneja, Phytochem. 21, 363 (1982). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | not reported |