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(-)-(A-B)-14-ALPHA-BENZOYLOXY-3-ALPHA,8-BETA,10-BETA,13-BETA,15-ALPHA-PENTAHYDROXY-1-ALPHA,6-ALPHA,16-ALPHA,18-TETRAMETHOXY-N-METHYLACONITANE

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(-)-(A-B)-14-ALPHA-BENZOYLOXY-3-ALPHA,8-BETA,10-BETA,13-BETA,15-ALPHA-PENTAHYDROXY-1-ALPHA,6-ALPHA,16-ALPHA,18-TETRAMETHOXY-N-METHYLACONITANE
SpectraBase Compound ID shkC7qmwb2
InChI InChI=1S/C33H45NO11/c1-16(35)44-28-27(43-6)31(38)13-18-21(26(31)45-29(37)17-10-8-7-9-11-17)33(28,39)22-23(42-5)24-30(15-40-3)14-34(2)25(22)32(18,24)20(41-4)12-19(30)36/h7-11,18-28,36,38-39H,12-15H2,1-6H3/t18-,19-,20+,21-,22+,23+,24-,25-,26-,27+,28+,30+,31-,32+,33-/m1/s1
InChIKey DUQVTZNRDNLJJM-NLOAWRMDSA-N
Mol Weight 631.7 g/mol
Molecular Formula C33H45NO11
Exact Mass 631.299261 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5FBoAkYkSGK
Name (-)-(A-B)-14-ALPHA-BENZOYLOXY-3-ALPHA,8-BETA,10-BETA,13-BETA,15-ALPHA-PENTAHYDROXY-1-ALPHA,6-ALPHA,16-ALPHA,18-TETRAMETHOXY-N-METHYLACONITANE
Compound Number 28B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H45NO11
InChI InChI=1S/C33H45NO11/c1-16(35)44-28-27(43-6)31(38)13-18-21(26(31)45-29(37)17-10-8-7-9-11-17)33(28,39)22-23(42-5)24-30(15-40-3)14-34(2)25(22)32(18,24)20(41-4)12-19(30)36/h7-11,18-28,36,38-39H,12-15H2,1-6H3/t18-,19-,20+,21-,22+,23+,24-,25-,26-,27+,28+,30+,31-,32+,33-/m1/s1
InChIKey DUQVTZNRDNLJJM-NLOAWRMDSA-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 631.720 g/mol
Sample ID 41168
Solvent ACETONE-D6