SpectraBase Compound ID | Ij91tV6pJTb |
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InChI | InChI=1S/C36H56O14/c1-16-30(50-32-28(42)27(41)26(40)23(14-37)49-32)31(45-4)29(43)33(47-16)48-19-7-9-34(2)18(12-19)5-6-21-25(34)22(38)13-35(3)20(8-10-36(21,35)44)17-11-24(39)46-15-17/h11,16,18-23,25-33,37-38,40-44H,5-10,12-15H2,1-4H3/t16-,18-,19+,20-,21-,22-,23+,25-,26+,27-,28+,29-,30+,31-,32-,33+,34+,35-,36+/m1/s1 |
InChIKey | AOCJZLDQZBXNIS-XHJKVCEFSA-N |
Mol Weight | 712.8 g/mol |
Molecular Formula | C36H56O14 |
Exact Mass | 712.367006 g/mol |
SpectraBase Spectrum ID | 8zqWq4eZpS2 |
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Name | SARGENOSIDE |
Compound Number | 8 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C36H56O14 |
InChI | InChI=1S/C36H56O14/c1-16-30(50-32-28(42)27(41)26(40)23(14-37)49-32)31(45-4)29(43)33(47-16)48-19-7-9-34(2)18(12-19)5-6-21-25(34)22(38)13-35(3)20(8-10-36(21,35)44)17-11-24(39)46-15-17/h11,16,18-23,25-33,37-38,40-44H,5-10,12-15H2,1-4H3/t16-,18-,19+,20-,21-,22-,23+,25-,26+,27-,28+,29-,30+,31-,32-,33+,34+,35-,36+/m1/s1 |
InChIKey | AOCJZLDQZBXNIS-XHJKVCEFSA-N |
Literature Reference Author | K.KAWAGUHI,I.ASAKA,M.HIROTANI,T.FURUYA,S.KATSUKI |
Literature Reference Citation | PHYTOCHEM.,34,1317(1993) |
Literature Reference DOI | 10.1016/0031-9422(91)80023-T |
Molecular Weight | 712.832 g/mol |
Solvent | C5D5N |
Source File Reference | UWLU20614 |