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NEOALSOSIDE-A4
SpectraBase Compound ID IxQkqZROcu9
InChI InChI=1S/C42H72O14/c1-19-28(46)30(48)31(49)35(52-19)55-33-29(47)23(18-43)53-36(32(33)50)54-26-12-13-39(6)24(37(26,2)3)11-15-40(7)25(39)16-21(44)27-20(10-14-41(27,40)8)42(9)17-22(45)34(56-42)38(4,5)51/h19-36,43-51H,10-18H2,1-9H3/t19-,20-,21+,22+,23+,24?,25?,26-,27?,28-,29+,30+,31+,32+,33-,34-,35-,36-,39-,40+,41+,42+/m0/s1
InChIKey KQHMYUAEJSJWOU-FBQQUMDLSA-N
Mol Weight 801.0 g/mol
Molecular Formula C42H72O14
Exact Mass 800.492207 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1aSfoPbeMtO
Name NEOALSOSIDE-A4
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H72O14
InChI InChI=1S/C42H72O14/c1-19-28(46)30(48)31(49)35(52-19)55-33-29(47)23(18-43)53-36(32(33)50)54-26-12-13-39(6)24(37(26,2)3)11-15-40(7)25(39)16-21(44)27-20(10-14-41(27,40)8)42(9)17-22(45)34(56-42)38(4,5)51/h19-36,43-51H,10-18H2,1-9H3/t19-,20-,21+,22+,23+,24?,25?,26-,27?,28-,29+,30+,31+,32+,33-,34-,35-,36-,39-,40+,41+,42+/m0/s1
InChIKey KQHMYUAEJSJWOU-FBQQUMDLSA-N
Literature Reference Author S.FUJITA,R.KASAI,K.OHTANI,K.YAMASAKI,M.H.CHIU,R.L.NIE,O.TANA KA
Literature Reference Citation PHYTOCHEM.,38,465(1995)
Literature Reference DOI 10.1016/0031-9422(94)00608-V
Molecular Weight 801.025 g/mol
Solvent C5D5N
Source File Reference UWMS4791