| SpectraBase Compound ID | 9CUeaIobeJu |
|---|---|
| InChI | InChI=1S/C50H80O19/c1-22-29(53)30(54)35(59)42(64-22)68-39-34(58)32(56)37(41(61)63-10)67-44(39)69-38-33(57)31(55)36(40(60)62-9)66-43(38)65-28-14-15-47(5)25(48(28,6)21-51)13-16-50(8)26(47)12-11-23-24-19-45(2,3)20-27(52)46(24,4)17-18-49(23,50)7/h11,22,24-39,42-44,51-59H,12-21H2,1-10H3/t22-,24-,25+,26+,27+,28-,29-,30+,31-,32-,33-,34-,35+,36-,37-,38+,39+,42-,43+,44-,46+,47-,48+,49+,50+/m0/s1 |
| InChIKey | MUXNTEPVVDJODU-NSRQCFTBSA-N |
| Mol Weight | 985.2 g/mol |
| Molecular Formula | C50H80O19 |
| Exact Mass | 984.52938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KBeXYaeoWqg |
|---|---|
| Name | YUNGANOSIDE-B1-DIMETHYLESTER |
| Compound Number | 2B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H80O19 |
| InChI | InChI=1S/C50H80O19/c1-22-29(53)30(54)35(59)42(64-22)68-39-34(58)32(56)37(41(61)63-10)67-44(39)69-38-33(57)31(55)36(40(60)62-9)66-43(38)65-28-14-15-47(5)25(48(28,6)21-51)13-16-50(8)26(47)12-11-23-24-19-45(2,3)20-27(52)46(24,4)17-18-49(23,50)7/h11,22,24-39,42-44,51-59H,12-21H2,1-10H3/t22-,24-,25+,26+,27+,28-,29-,30+,31-,32-,33-,34-,35+,36-,37-,38+,39+,42-,43+,44-,46+,47-,48+,49+,50+/m0/s1 |
| InChIKey | MUXNTEPVVDJODU-NSRQCFTBSA-N |
| Literature Reference Author | K.OHTANI,K.OGAWA,R.KASAI,C.R.YANG,K.YAMASAKI,J.ZHOU,O.TANAKA |
| Literature Reference Citation | PHYTOCHEM.,31,1747(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)83140-T |
| Molecular Weight | 985.174 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN6011 |