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(+)-(A-C)-8-BETA-ACETOXY-14-ALPHA-BENZOYLOXY-13-BETA,15-ALPHA-DIHYDROXY-1-ALPHA,6-ALPHA,16-ALPHA,18-TETRAMETHOXY-N-METHYLACONITANE
SpectraBase Compound ID 3PxBwrSjuej
InChI InChI=1S/C33H45NO10/c1-17(35)44-33-21-19(14-31(38,28(42-6)26(33)36)27(21)43-29(37)18-10-8-7-9-11-18)32-20(40-4)12-13-30(16-39-3)15-34(2)25(32)22(33)23(41-5)24(30)32/h7-11,19-28,36,38H,12-16H2,1-6H3/t19-,20+,21-,22+,23+,24-,25-,26+,27-,28+,30+,31-,32+,33-/m1/s1
InChIKey FIDOCHXHMJHKRW-FBYRGYIKSA-N
Mol Weight 615.7 g/mol
Molecular Formula C33H45NO10
Exact Mass 615.304347 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9FaoBp7jCzZ
Name (+)-(A-B)-8-BETA-ACETOXY-14-ALPHA-BENZOYLOXY-13-BETA,15-ALPHA-DIHYDROXY-1-ALPHA,6-ALPHA,16-ALPHA,18-TETRAMETHOXY-N-METHYLACONITANE
Compound Number 27A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H45NO10
InChI InChI=1S/C33H45NO10/c1-17(35)44-33-21-19(14-31(38,28(42-6)26(33)36)27(21)43-29(37)18-10-8-7-9-11-18)32-20(40-4)12-13-30(16-39-3)15-34(2)25(32)22(33)23(41-5)24(30)32/h7-11,19-28,36,38H,12-16H2,1-6H3/t19-,20+,21-,22+,23+,24-,25-,26+,27-,28+,30+,31-,32+,33-/m1/s1
InChIKey FIDOCHXHMJHKRW-FBYRGYIKSA-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 615.721 g/mol
Sample ID 41165
Solvent ACETONE-D6