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(-)-(A-B)-14-ALPHA-CINNAMOYLOXY-N-ETHYL-1-ALPHA,8-BETA,15-ALPHA-TRIHYDROXY-6-ALPHA,16-BETA,18-TRIMETHOXYACONITANE
SpectraBase Compound ID DTEcG52QDGe
InChI InChI=1S/C33H45NO8/c1-5-34-16-31(17-39-2)14-13-21(35)32-20-15-19-25(42-22(36)12-11-18-9-7-6-8-10-18)23(20)33(38,30(37)26(19)40-3)24(29(32)34)27(41-4)28(31)32/h6-12,19-21,23-30,35,37-38H,5,13-17H2,1-4H3/b12-11+/t19-,20+,21-,23+,24-,25-,26+,27-,28+,29+,30-,31-,32-,33+/m0/s1
InChIKey QOGWOUPRWJWDGB-BFMKLUJDSA-N
Mol Weight 583.7 g/mol
Molecular Formula C33H45NO8
Exact Mass 583.314517 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3FdaWOCQnGU
Name (-)-(A-B)-14-ALPHA-CINNAMOYLOXY-N-ETHYL-1-ALPHA,8-BETA,15-ALPHA-TRIHYDROXY-6-ALPHA,16-BETA,18-TRIMETHOXYACONITANE
Compound Number 25
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H45NO8
InChI InChI=1S/C33H45NO8/c1-5-34-16-31(17-39-2)14-13-21(35)32-20-15-19-25(42-22(36)12-11-18-9-7-6-8-10-18)23(20)33(38,30(37)26(19)40-3)24(29(32)34)27(41-4)28(31)32/h6-12,19-21,23-30,35,37-38H,5,13-17H2,1-4H3/b12-11+/t19-,20+,21-,23+,24-,25-,26+,27-,28+,29+,30-,31-,32-,33+/m0/s1
InChIKey QOGWOUPRWJWDGB-BFMKLUJDSA-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 583.722 g/mol
Sample ID 41170
Solvent ACETONE-D6