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NEOALSOSIDE_I1
SpectraBase Compound ID 1oNPQxhtuNj
InChI InChI=1S/C48H84O18/c1-21-31(52)34(55)36(57)40(61-21)65-38-33(54)25(20-49)63-42(39(38)66-41-37(58)35(56)32(53)22(2)62-41)64-29-14-15-45(7)26(43(29,3)4)12-17-46(8)27(45)19-24(50)30-23(11-16-47(30,46)9)48(10,60)18-13-28(51)44(5,6)59/h21-42,49-60H,11-20H2,1-10H3/t21-,22+,23+,24-,25+,26+,27-,28-,29+,30+,31-,32+,33+,34+,35-,36+,37-,38-,39+,40-,41+,42-,45+,46-,47-,48+/m1/s1
InChIKey GWYHAULMQCSQBQ-TVFHJREZSA-N
Mol Weight 949.2 g/mol
Molecular Formula C48H84O18
Exact Mass 948.565766 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Z6FGX0M4QV
Name NEOALSOSIDE_I1
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H84O18
InChI InChI=1S/C48H84O18/c1-21-31(52)34(55)36(57)40(61-21)65-38-33(54)25(20-49)63-42(39(38)66-41-37(58)35(56)32(53)22(2)62-41)64-29-14-15-45(7)26(43(29,3)4)12-17-46(8)27(45)19-24(50)30-23(11-16-47(30,46)9)48(10,60)18-13-28(51)44(5,6)59/h21-42,49-60H,11-20H2,1-10H3/t21-,22+,23+,24-,25+,26+,27-,28-,29+,30+,31-,32+,33+,34+,35-,36+,37-,38-,39+,40-,41+,42-,45+,46-,47-,48+/m1/s1
InChIKey GWYHAULMQCSQBQ-TVFHJREZSA-N
Literature Reference Author S.FUJITA,R.KASAI,K.OHTANI,K.YAMASAKI,C.M.HUA,N.RUI-LIN,O.TAN AKA
Literature Reference Citation PHYTOCHEM.,39,591(1995)
Literature Reference DOI 10.1016/0031-9422(95)00020-8
Molecular Weight 949.184 g/mol
Solvent C5D5N
Source File Reference UWMZ8528