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CYNARASAPONIN-F
SpectraBase Compound ID KzNhXvrNHzV
InChI InChI=1S/C42H66O15/c1-19-9-14-42(37(53)57-35-31(49)28(46)27(45)22(17-43)54-35)16-15-40(5)21(26(42)20(19)2)7-8-24-38(3)12-11-25(39(4,18-44)23(38)10-13-41(24,40)6)55-36-32(50)29(47)30(48)33(56-36)34(51)52/h7,19-20,22-33,35-36,43-50H,8-18H2,1-6H3,(H,51,52)/t19-,20+,22-,23-,24-,25+,26+,27-,28+,29+,30+,31-,32-,33+,35+,36-,38+,39+,40-,41-,42+/m1/s1
InChIKey UHQNVKKALWJDQL-MAGWOZCJSA-N
Mol Weight 811.0 g/mol
Molecular Formula C42H66O15
Exact Mass 810.440171 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID n6DAU2PcRQ
Name CYNARASAPONIN-F
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H66O15
InChI InChI=1S/C42H66O15/c1-19-9-14-42(37(53)57-35-31(49)28(46)27(45)22(17-43)54-35)16-15-40(5)21(26(42)20(19)2)7-8-24-38(3)12-11-25(39(4,18-44)23(38)10-13-41(24,40)6)55-36-32(50)29(47)30(48)33(56-36)34(51)52/h7,19-20,22-33,35-36,43-50H,8-18H2,1-6H3,(H,51,52)/t19-,20+,22-,23-,24-,25+,26+,27-,28+,29+,30+,31-,32-,33+,35+,36-,38+,39+,40-,41-,42+/m1/s1
InChIKey UHQNVKKALWJDQL-MAGWOZCJSA-N
Literature Reference Author I.YANO,C.NISHIIZUMI,K.YOSHIKAWA,S.ARIHARA
Literature Reference Citation PHYTOCHEM.,32,417(1993)
Literature Reference DOI 10.1016/S0031-9422(00)95006-4
Molecular Weight 810.977 g/mol
Solvent C5D5N
Source File Reference UWMS4526