| SpectraBase Compound ID | 20ez950WBmC |
|---|---|
| InChI | InChI=1S/C36H44O13/c1-14-7-22(39)28-19(11-37)6-5-18(9-21(14)28)16(3)34(44)47-24-8-15(2)26-23(40)10-20(29(26)33-27(24)17(4)35(45)49-33)13-46-36-32(43)31(42)30(41)25(12-38)48-36/h7,10,17-18,21,24-25,27,29-33,36-38,41-43H,3,5-6,8-9,11-13H2,1-2,4H3/t17-,18+,21-,24-,25-,27+,29-,30-,31+,32-,33-,36-/m0/s1 |
| InChIKey | YJFPAKIFONEVJH-KJASZGFDSA-N |
| Mol Weight | 684.7 g/mol |
| Molecular Formula | C36H44O13 |
| Exact Mass | 684.278191 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6JSuAIUz9Il |
|---|---|
| Name | PICRIOSIDE_B |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H44O13 |
| InChI | InChI=1S/C36H44O13/c1-14-7-22(39)28-19(11-37)6-5-18(9-21(14)28)16(3)34(44)47-24-8-15(2)26-23(40)10-20(29(26)33-27(24)17(4)35(45)49-33)13-46-36-32(43)31(42)30(41)25(12-38)48-36/h7,10,17-18,21,24-25,27,29-33,36-38,41-43H,3,5-6,8-9,11-13H2,1-2,4H3/t17-,18+,21-,24-,25-,27+,29-,30-,31+,32-,33-,36-/m0/s1 |
| InChIKey | YJFPAKIFONEVJH-KJASZGFDSA-N |
| Literature Reference Author | T.UCHIYAMA,K.NISHIMURA,T.MIYASE,A.UENO |
| Literature Reference Citation | PHYTOCHEM.,29,2947(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)87112-8 |
| Molecular Weight | 684.738 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ17763 |