| SpectraBase Compound ID | H1gju1obrtq |
|---|---|
| InChI | InChI=1S/C31H42O13/c1-15(28(39)41-3)19-10-11-31(2)22(44-29(40)20(34)12-16-4-7-18(33)8-5-16)9-6-17(23(31)24(19)35)14-42-30-27(38)26(37)25(36)21(13-32)43-30/h4-8,19-27,30,32-38H,1,9-14H2,2-3H3/t19-,20?,21-,22+,23+,24-,25-,26+,27-,30-,31-/m1/s1 |
| InChIKey | XFACIJUJGNMSOZ-PPPUQFAFSA-N |
| Mol Weight | 622.7 g/mol |
| Molecular Formula | C31H42O13 |
| Exact Mass | 622.262541 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LH6OmsNZA9g |
|---|---|
| Name | IXERISOSIDE-F |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H42O13 |
| InChI | InChI=1S/C31H42O13/c1-15(28(39)41-3)19-10-11-31(2)22(44-29(40)20(34)12-16-4-7-18(33)8-5-16)9-6-17(23(31)24(19)35)14-42-30-27(38)26(37)25(36)21(13-32)43-30/h4-8,19-27,30,32-38H,1,9-14H2,2-3H3/t19-,20?,21-,22+,23+,24-,25-,26+,27-,30-,31-/m1/s1 |
| InChIKey | XFACIJUJGNMSOZ-PPPUQFAFSA-N |
| Literature Reference Author | T.WARASHINA,M.ISHINO,T.MIYASE,A.UENO |
| Literature Reference Citation | PHYTOCHEM.,29,3217(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)80188-M |
| Molecular Weight | 622.667 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWKP6852 |