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(-)-(A-C)-8-BETA-ACETOXY-14-ALPHA-BENZOYLOXY-N-ETHYL-13-BETA,15-ALPHA-DIHYDROXY-1-ALPHA,6-ALPHA,16-BETA,18-TETRAMETHOXY-19-OXO-ACONITANE
SpectraBase Compound ID Ao1Vvaeu9qG
InChI InChI=1S/C34H45NO11/c1-7-35-25-22-23(43-5)24-31(16-41-3,30(35)39)14-13-20(42-4)33(24,25)19-15-32(40)27(45-29(38)18-11-9-8-10-12-18)21(19)34(22,46-17(2)36)26(37)28(32)44-6/h8-12,19-28,37,40H,7,13-16H2,1-6H3/t19-,20+,21-,22+,23+,24-,25-,26+,27-,28+,31+,32-,33+,34-/m1/s1
InChIKey ZKWHJPLKCYJCQN-OBVYFJBXSA-N
Mol Weight 643.7 g/mol
Molecular Formula C34H45NO11
Exact Mass 643.299261 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2O81aLNWDUV
Name (-)-(A-C)-8-BETA-ACETOXY-14-ALPHA-BENZOYLOXY-N-ETHYL-13-BETA,15-ALPHA-DIHYDROXY-1-ALPHA,6-ALPHA,16-BETA,18-TETRAMETHOXY-19-OXO-ACONITANE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H45NO11
InChI InChI=1S/C34H45NO11/c1-7-35-25-22-23(43-5)24-31(16-41-3,30(35)39)14-13-20(42-4)33(24,25)19-15-32(40)27(45-29(38)18-11-9-8-10-12-18)21(19)34(22,46-17(2)36)26(37)28(32)44-6/h8-12,19-28,37,40H,7,13-16H2,1-6H3/t19-,20+,21-,22+,23+,24-,25-,26+,27-,28+,31+,32-,33+,34-/m1/s1
InChIKey ZKWHJPLKCYJCQN-OBVYFJBXSA-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 643.731 g/mol
Sample ID 41147
Solvent ACETONE-D6