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(-)-(A-B)-8-BETA-ACETOXY-14-ALPHA-BENZOYLOXY-N-ETHYL-3-ALPHA,10-BETA,13-BETA-TRIHYDROXY-1-ALPHA,6-ALPHA,16-BETA,18-TETRAMETHOXYACONITANE

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(-)-(A-B)-8-BETA-ACETOXY-14-ALPHA-BENZOYLOXY-N-ETHYL-3-ALPHA,10-BETA,13-BETA-TRIHYDROXY-1-ALPHA,6-ALPHA,16-BETA,18-TETRAMETHOXYACONITANE
SpectraBase Compound ID 6eQYGxEbFe2
InChI InChI=1S/C34H47NO11/c1-7-35-16-30(17-41-3)20(37)13-21(42-4)34-25(30)24(44-6)23(27(34)35)32(46-18(2)36)14-22(43-5)31(39)15-33(34,40)26(32)28(31)45-29(38)19-11-9-8-10-12-19/h8-12,20-28,37,39-40H,7,13-17H2,1-6H3/t20-,21+,22+,23+,24+,25-,26-,27-,28-,30+,31+,32+,33+,34-/m1/s1
InChIKey CGZHYEVMXJQEBH-WQOHFQQVSA-N
Mol Weight 645.7 g/mol
Molecular Formula C34H47NO11
Exact Mass 645.314911 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EgCYXvvTDsz
Name (-)-(A-B)-8-BETA-ACETOXY-14-ALPHA-BENZOYLOXY-N-ETHYL-3-ALPHA,10-BETA,13-BETA-TRIHYDROXY-1-ALPHA,6-ALPHA,16-BETA,18-TETRAMETHOXYACONITANE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H47NO11
InChI InChI=1S/C34H47NO11/c1-7-35-16-30(17-41-3)20(37)13-21(42-4)34-25(30)24(44-6)23(27(34)35)32(46-18(2)36)14-22(43-5)31(39)15-33(34,40)26(32)28(31)45-29(38)19-11-9-8-10-12-19/h8-12,20-28,37,39-40H,7,13-17H2,1-6H3/t20-,21+,22+,23+,24+,25-,26-,27-,28-,30+,31+,32+,33+,34-/m1/s1
InChIKey CGZHYEVMXJQEBH-WQOHFQQVSA-N
Literature Reference Author B.JIANG,S.LIN,C.ZHU,S.WANG,Y.WANG,M.CHEN,J.ZHANG,J.HU,N.CHEN ,Y.YANG,J.SHI
Literature Reference Citation J.NAT.PROD.,75,1145(2012)
Literature Reference DOI 10.1021/np300225t
Molecular Weight 645.747 g/mol
Sample ID 41154
Solvent ACETONE-D6