John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=HumSjHrjW6g SpectraBase Spectrum ID=2aqZXxXAT1q

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BETA-HEDERIN
SpectraBase Compound ID HumSjHrjW6g
InChI InChI=1S/C41H66O11/c1-21-28(43)30(45)31(46)33(50-21)52-32-29(44)24(42)20-49-34(32)51-27-12-13-38(6)25(37(27,4)5)11-14-40(8)26(38)10-9-22-23-19-36(2,3)15-17-41(23,35(47)48)18-16-39(22,40)7/h9,21,23-34,42-46H,10-20H2,1-8H3,(H,47,48)/t21-,23?,24-,25?,26?,27-,28-,29-,30+,31+,32+,33?,34?,38-,39+,40+,41?/m0/s1
InChIKey IBAJNOZMACNWJD-ZWLRQTEDSA-N
Mol Weight 735.0 g/mol
Molecular Formula C41H66O11
Exact Mass 734.460513 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2aqZXxXAT1q
Name BETA-HEDERIN
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H66O11
InChI InChI=1S/C41H66O11/c1-21-28(43)30(45)31(46)33(50-21)52-32-29(44)24(42)20-49-34(32)51-27-12-13-38(6)25(37(27,4)5)11-14-40(8)26(38)10-9-22-23-19-36(2,3)15-17-41(23,35(47)48)18-16-39(22,40)7/h9,21,23-34,42-46H,10-20H2,1-8H3,(H,47,48)/t21-,23?,24-,25?,26?,27-,28-,29-,30+,31+,32+,33?,34?,38-,39+,40+,41?/m0/s1
InChIKey IBAJNOZMACNWJD-ZWLRQTEDSA-N
Literature Reference Author H.M.ZHONG,C.X.CHEN,X.TIAN,Y.X.CHUI,Y.Z.CHEN
Literature Reference Citation PLANTA.MED.,67,484(2001)
Literature Reference DOI 10.1055/s-2001-15803
Molecular Weight 734.968 g/mol
Solvent C5D5N
Source File Reference UIAP1579
SpectraBase Batch ID Ee8MLoKrPAY