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(+/-)-(1-S,2-R,3-R)-METHYL_1-(4-FARNESOXY-3-METHOXYPHENYL)-3-(HYDROXYMETHYL)-6,7,8-TRIMETHOXY-1,2,3,4-TETRAHYDRONAPHTHALENE-2-CARBOXYLATE

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(+/-)-(1-S,2-R,3-R)-METHYL_1-(4-FARNESOXY-3-METHOXYPHENYL)-3-(HYDROXYMETHYL)-6,7,8-TRIMETHOXY-1,2,3,4-TETRAHYDRONAPHTHALENE-2-CARBOXYLATE
SpectraBase Compound ID B9mewYmFfbp
InChI InChI=1S/C38H52O8/c1-24(2)12-10-13-25(3)14-11-15-26(4)18-19-46-30-17-16-27(21-31(30)41-5)33-34-28(20-29(23-39)35(33)38(40)45-9)22-32(42-6)36(43-7)37(34)44-8/h12,14,16-18,21-22,29,33,35,39H,10-11,13,15,19-20,23H2,1-9H3/b25-14+,26-18+/t29-,33-,35-/m0/s1
InChIKey KGDLQCYTRMVMSW-YZQATADOSA-N
Mol Weight 636.8 g/mol
Molecular Formula C38H52O8
Exact Mass 636.366219 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4UHOu0hP5o0
Name (+/-)-(1-S,2-R,3-R)-METHYL_1-(4-FARNESOXY-3-METHOXYPHENYL)-3-(HYDROXYMETHYL)-6,7,8-TRIMETHOXY-1,2,3,4-TETRAHYDRONAPHTHALENE-2-CARBOXYLATE
Compound Number 45
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H52O8
InChI InChI=1S/C38H52O8/c1-24(2)12-10-13-25(3)14-11-15-26(4)18-19-46-30-17-16-27(21-31(30)41-5)33-34-28(20-29(23-39)35(33)38(40)45-9)22-32(42-6)36(43-7)37(34)44-8/h12,14,16-18,21-22,29,33,35,39H,10-11,13,15,19-20,23H2,1-9H3/b25-14+,26-18+/t29-,33-,35-/m0/s1
InChIKey KGDLQCYTRMVMSW-YZQATADOSA-N
Literature Reference Author Y.ZHAO,J.H.FENG,H.X.DING,Y.XIONG,C.H.K.CHENG,X.J.HAO,Y.M.ZHA NG,Y.J.PAN,F.GUERITT
Literature Reference Citation J.NAT.PROD.,69,1145(2006)
Literature Reference DOI 10.1021/np050547x
Molecular Weight 636.826 g/mol
Solvent CDCl3
Source File Reference UWMZ15541