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CHIKUSETUSAPONIN-IV
SpectraBase Compound ID 56s3vWD5Yf3
InChI InChI=1S/C42H66O14/c1-37(2)14-16-42(36(52)56-34-30(48)27(45)26(44)22(19-43)53-34)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-31(49)28(46)29(47)32(55-35)33(50)51/h8,21-32,34-35,43-49H,9-19H2,1-7H3,(H,50,51)/t21?,22-,23?,24?,25+,26-,27+,28+,29+,30-,31-,32+,34+,35-,39+,40-,41-,42+/m1/s1
InChIKey YOSRLTNUOCHBEA-SNRHWUJASA-N
Mol Weight 795.0 g/mol
Molecular Formula C42H66O14
Exact Mass 794.445257 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6dsQQsuMYUY
Name CHIKUSETSU-SAPONIN-IV-A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H66O14
InChI InChI=1S/C42H66O14/c1-37(2)14-16-42(36(52)56-34-30(48)27(45)26(44)22(19-43)53-34)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-31(49)28(46)29(47)32(55-35)33(50)51/h8,21-32,34-35,43-49H,9-19H2,1-7H3,(H,50,51)/t21?,22-,23?,24?,25+,26-,27+,28+,29+,30-,31-,32+,34+,35-,39+,40-,41-,42+/m1/s1
InChIKey YOSRLTNUOCHBEA-SNRHWUJASA-N
Literature Reference Author N.NISHIMOTO,Y.SHIOBARA,M.FUJINO,S.S.INOUE,T.TAKEMOTO,F.DEOLI VEIRA,G.AKISUE,M.KUB
Literature Reference Citation PHYTOCHEM.,26,2505(1987)
Literature Reference DOI 10.1016/S0031-9422(00)83865-0
Molecular Weight 794.978 g/mol
Solvent PYRIDINE-D5
Source File Reference UWBK464