| SpectraBase Compound ID | 9xBxOPlgJtl |
|---|---|
| InChI | InChI=1S/C42H68O14/c1-20-10-15-42(36(51)56-35-32(50)30(48)28(46)23(19-44)54-35)17-16-39(5)21(33(42)41(20,7)52)8-9-25-38(4)13-12-26(37(2,3)24(38)11-14-40(25,39)6)55-34-31(49)29(47)27(45)22(18-43)53-34/h8,20,22-35,43-50,52H,9-19H2,1-7H3/t20-,22+,23+,24-,25+,26-,27+,28+,29-,30-,31+,32+,33+,34-,35-,38-,39+,40+,41+,42-/m0/s1 |
| InChIKey | COHPLOFYJSBXAX-ZBKGSNGFSA-N |
| Mol Weight | 797.0 g/mol |
| Molecular Formula | C42H68O14 |
| Exact Mass | 796.460907 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JzEQ6H2Fvkz |
|---|---|
| Name | MUSSAENDOSIDE-R;3-BETA-O-BETA-D-GLUCOPYRANOSYL-POMOLIC-ACID-28-O-BETA-D-GLUCOPYRANOSYLESTER |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H68O14 |
| InChI | InChI=1S/C42H68O14/c1-20-10-15-42(36(51)56-35-32(50)30(48)28(46)23(19-44)54-35)17-16-39(5)21(33(42)41(20,7)52)8-9-25-38(4)13-12-26(37(2,3)24(38)11-14-40(25,39)6)55-34-31(49)29(47)27(45)22(18-43)53-34/h8,20,22-35,43-50,52H,9-19H2,1-7H3/t20-,22+,23+,24-,25+,26-,27+,28+,29-,30-,31+,32+,33+,34-,35-,38-,39+,40+,41+,42-/m0/s1 |
| InChIKey | COHPLOFYJSBXAX-ZBKGSNGFSA-N |
| Literature Reference Author | W.ZHAO,J.XU,G.QIN,R.XU |
| Literature Reference Citation | PHYTOCHEM.,39,191(1995) |
| Literature Reference DOI | 10.1016/0031-9422(94)00861-M |
| Molecular Weight | 796.994 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ8389 |