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CERTONARDOSIDE-A-DESULFONATED
SpectraBase Compound ID 7r4g1nZzhGc
InChI InChI=1S/C39H66O14/c1-18(20(3)15-50-35-33(31(47)26(44)16-51-35)53-36-32(49-6)30(46)25(43)17-52-36)7-8-19(2)21-13-23(41)34-37(21,4)12-10-27-38(5)11-9-22(40)29(45)28(38)24(42)14-39(27,34)48/h19-36,40-48H,1,7-17H2,2-6H3/t19-,20?,21?,22+,23-,24+,25-,26-,27?,28?,29+,30+,31+,32-,33-,34?,35-,36+,37-,38-,39+/m1/s1
InChIKey MXKSWBGGFMZJOH-ZXTVHQMYSA-N
Mol Weight 758.9 g/mol
Molecular Formula C39H66O14
Exact Mass 758.445257 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CIcumxBdb6B
Name CERTONARDOSIDE-A-DESULFONATED
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H66O14
InChI InChI=1S/C39H66O14/c1-18(20(3)15-50-35-33(31(47)26(44)16-51-35)53-36-32(49-6)30(46)25(43)17-52-36)7-8-19(2)21-13-23(41)34-37(21,4)12-10-27-38(5)11-9-22(40)29(45)28(38)24(42)14-39(27,34)48/h19-36,40-48H,1,7-17H2,2-6H3/t19-,20?,21?,22+,23-,24+,25-,26-,27?,28?,29+,30+,31+,32-,33-,34?,35-,36+,37-,38-,39+/m1/s1
InChIKey MXKSWBGGFMZJOH-ZXTVHQMYSA-N
Literature Reference Author W.WANG,F.LI,N.ALAM,Y.LIU,J.HONG,C.K.LEE,K.S.IM,J.H.JUNG
Literature Reference Citation J.NAT.PROD.,65,1649(2002)
Literature Reference DOI 10.1021/np020234r
Molecular Weight 758.945 g/mol
Solvent CD3OD
Source File Reference UWSI7239