| SpectraBase Compound ID | 2vCdjY2u1LG |
|---|---|
| InChI | InChI=1S/C35H52O9/c1-30(2)19-9-12-33(5)20(32(19,4)11-10-22(30)36)8-7-17-18-15-31(3)13-14-35(18,21(31)16-34(17,33)6)29(42)44-28-25(39)23(37)24(38)26(43-28)27(40)41/h7,18-26,28,36-39H,8-16H2,1-6H3,(H,40,41)/t18-,19+,20-,21+,22+,23-,24-,25+,26-,28-,31-,32+,33-,34-,35-/m1/s1 |
| InChIKey | OIGJAOUTUONOHJ-RULOEPJVSA-N |
| Mol Weight | 616.8 g/mol |
| Molecular Formula | C35H52O9 |
| Exact Mass | 616.361133 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BdKAWpQ2iay |
|---|---|
| Name | PFAFFOSIDE-G;3-BETA-HYDROXY-PFAFFAN-12-ENE-28-OIC-ACID-(28->1)-BETA-D-GLUCOPYRANOSYLESTER |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H52O9 |
| InChI | InChI=1S/C35H52O9/c1-30(2)19-9-12-33(5)20(32(19,4)11-10-22(30)36)8-7-17-18-15-31(3)13-14-35(18,21(31)16-34(17,33)6)29(42)44-28-25(39)23(37)24(38)26(43-28)27(40)41/h7,18-26,28,36-39H,8-16H2,1-6H3,(H,40,41)/t18-,19+,20-,21+,22+,23-,24-,25+,26-,28-,31-,32+,33-,34-,35-/m1/s1 |
| InChIKey | OIGJAOUTUONOHJ-RULOEPJVSA-N |
| Literature Reference Author | Y.SHIOBARA,S.S.INOUE,Y.NISHIGUCHI,K.KATO,T.TAKEMOTO,N.NISHIM OTO,F.D.OLIVEIRA,G.A |
| Literature Reference Citation | PHYTOCHEM.,31,1737(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)83138-O |
| Molecular Weight | 616.792 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN6007 |