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6'-O-[(2R)-METHYL-3-VERATROYLOXYPROPANOYL]-MORRONISIDE-TETRAACETATE;[7-BETA-OAC]
SpectraBase Compound ID EPrWyocoXOz
InChI InChI=1S/C38H48O20/c1-17(14-49-35(44)23-10-11-26(46-7)27(12-23)47-8)34(43)50-16-28-31(54-20(4)40)32(55-21(5)41)33(56-22(6)42)38(57-28)58-37-30-18(2)52-29(53-19(3)39)13-24(30)25(15-51-37)36(45)48-9/h10-12,15,17-18,24,28-33,37-38H,13-14,16H2,1-9H3/t17?,18-,24+,28+,29-,30+,31+,32-,33+,37-,38-/m0/s1
InChIKey WPVTZRMUOUYLNA-MSKJZLTDSA-N
Mol Weight 824.8 g/mol
Molecular Formula C38H48O20
Exact Mass 824.273894 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EktaVviV7Ww
Name 6'-O-[(2R)-METHYL-3-VERATROYLOXYPROPANOYL]-MORRONISIDE-TETRAACETATE;[7-BETA-OAC]
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H48O20
InChI InChI=1S/C38H48O20/c1-17(14-49-35(44)23-10-11-26(46-7)27(12-23)47-8)34(43)50-16-28-31(54-20(4)40)32(55-21(5)41)33(56-22(6)42)38(57-28)58-37-30-18(2)52-29(53-19(3)39)13-24(30)25(15-51-37)36(45)48-9/h10-12,15,17-18,24,28-33,37-38H,13-14,16H2,1-9H3/t17?,18-,24+,28+,29-,30+,31+,32-,33+,37-,38-/m0/s1
InChIKey WPVTZRMUOUYLNA-MSKJZLTDSA-N
Literature Reference Author J.GARCIA,E.M.MPONDO,G.CARTIER,C.GEY
Literature Reference Citation J.NAT.PROD.,52,996(1989)
Literature Reference DOI 10.1021/np50065a013
Molecular Weight 824.787 g/mol
Solvent CDCl3
Source File Reference UWTS416