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XKDKMKINVZRPEE-SSARBSQNSA-N

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XKDKMKINVZRPEE-SSARBSQNSA-N
SpectraBase Compound ID CgMhRrorCCR
InChI InChI=1S/C35H42O12/c1-35(2)45-17-29(33(47-35)18-8-9-23(36)24(10-18)38-3)46-34-27(41-6)13-20(14-28(34)42-7)32-22-16-43-31(21(22)15-44-32)19-11-25(39-4)30(37)26(12-19)40-5/h8-14,21-22,29,31-33,36-37H,15-17H2,1-7H3/t21-,22-,29+,31+,32+,33+/m1/s1
InChIKey XKDKMKINVZRPEE-SSARBSQNSA-N
Mol Weight 654.7 g/mol
Molecular Formula C35H42O12
Exact Mass 654.267627 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Zt00srYeGO
Name XKDKMKINVZRPEE-SSARBSQNSA-N
Compound Number 13A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H42O12
InChI InChI=1S/C35H42O12/c1-35(2)45-17-29(33(47-35)18-8-9-23(36)24(10-18)38-3)46-34-27(41-6)13-20(14-28(34)42-7)32-22-16-43-31(21(22)15-44-32)19-11-25(39-4)30(37)26(12-19)40-5/h8-14,21-22,29,31-33,36-37H,15-17H2,1-7H3/t21-,22-,29+,31+,32+,33+/m1/s1
InChIKey XKDKMKINVZRPEE-SSARBSQNSA-N
Literature Reference Author L.XIONG,C.ZHU,Y.LI,Y.TIAN,S.LIN,S.YUAN,J.HU,Q.HOU,N.CHEN,Y.Y ANG,J.SHI
Literature Reference Citation J.NAT.PROD.,74,1188(2011)
Literature Reference DOI 10.1021/np200117y
Molecular Weight 654.711 g/mol
Sample ID 38255
Solvent ACETONE-D6