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TRI-[(R)-(-)-ALPHA-METHOXYPHENYL-ACETATE]
SpectraBase Compound ID J2vVdI6SjJs
InChI InChI=1S/C47H58O9/c1-32-24-25-38-46(2,3)27-17-28-47(38,4)39(32)37(56-45(50)42(53-7)36-22-15-10-16-23-36)30-33(31-55-44(49)41(52-6)35-20-13-9-14-21-35)26-29-54-43(48)40(51-5)34-18-11-8-12-19-34/h8-16,18-23,30,37-42H,1,17,24-29,31H2,2-7H3/b33-30+/t37-,38+,39-,40?,41?,42?,47+/m1/s1
InChIKey YAXGPPCVSZLJQZ-UXPQNNBQSA-N
Mol Weight 767.0 g/mol
Molecular Formula C47H58O9
Exact Mass 766.408083 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 28ZD9iph5Ep
Name TRI-[(S)-(+)-ALPHA-METHOXY-PHENYL-ACTATE]
Compound Number 6 S
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H58O9
InChI InChI=1S/C47H58O9/c1-32-24-25-38-46(2,3)27-17-28-47(38,4)39(32)37(56-45(50)42(53-7)36-22-15-10-16-23-36)30-33(31-55-44(49)41(52-6)35-20-13-9-14-21-35)26-29-54-43(48)40(51-5)34-18-11-8-12-19-34/h8-16,18-23,30,37-42H,1,17,24-29,31H2,2-7H3/b33-30+/t37-,38+,39-,40?,41?,42?,47+/m1/s1
InChIKey YAXGPPCVSZLJQZ-UXPQNNBQSA-N
Literature Reference Author B.N.ZHOU,N.J.BAJ,T.E.GLASS,S.MALONE,M.C.M.WERKHOVEN,F.VANTRO ON,J.H.WISSE,D.G.I.K
Literature Reference Citation J.NAT.PROD.,60,1287(1997)
Literature Reference DOI 10.1021/np970233c
Molecular Weight 766.972 g/mol
Solvent CDCl3
Source File Reference UWRU333