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Rotundioside-F
SpectraBase Compound ID IaP6oSmmHj1
InChI InChI=1S/C48H78O16/c1-22-30(51)33(54)36(57)39(59-22)63-38-35(56)32(53)24(20-49)61-41(38)64-37-34(55)31(52)23(2)60-40(37)62-29-12-13-44(7)25(43(29,5)6)10-14-45(8)26(44)11-15-48-27-18-42(3,4)16-17-47(27,21-58-48)28(50)19-46(45,48)9/h11,15,22-41,49-57H,10,12-14,16-21H2,1-9H3/t22-,23+,24+,25?,26?,27?,28+,29-,30-,31-,32+,33+,34-,35-,36+,37+,38+,39-,40-,41-,44-,45+,46-,47+,48-/m0/s1
InChIKey HMEMJYQIFNQSFR-OULLDVHZSA-N
Mol Weight 911.1 g/mol
Molecular Formula C48H78O16
Exact Mass 910.528986 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8ygoUYtxF0N
Name ROTUNDIOSIDE-F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H78O16
InChI InChI=1S/C48H78O16/c1-22-30(51)33(54)36(57)39(59-22)63-38-35(56)32(53)24(20-49)61-41(38)64-37-34(55)31(52)23(2)60-40(37)62-29-12-13-44(7)25(43(29,5)6)10-14-45(8)26(44)11-15-48-27-18-42(3,4)16-17-47(27,21-58-48)28(50)19-46(45,48)9/h11,15,22-41,49-57H,10,12-14,16-21H2,1-9H3/t22-,23+,24+,25?,26?,27?,28+,29-,30-,31-,32+,33+,34-,35-,36+,37+,38+,39-,40-,41-,44-,45+,46-,47+,48-/m0/s1
InChIKey HMEMJYQIFNQSFR-OULLDVHZSA-N
Literature Reference Author E.AKAI,T.TAKEDA,Y.KOBAYASHI,Y.CHEN,Y.OGIHARA
Literature Reference Citation CHEM.PHARM.BULL.,33,4685(1985)
Literature Reference DOI 10.1248/cpb.33.4685
Molecular Weight 911.138 g/mol
Solvent PYRIDINE-D5
Source File Reference UWBK215