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(-)-(4R,5R)-3-(3",4",5"-Trimethoxybenzylidene)-4-(3',4'-methylenedioxy-.alpha.-hydroxybenzyl)-5-(1-menthyloxy)butyroactone

View entire compound with spectra: 1 MS (GC)

(-)-(4R,5R)-3-(3",4",5"-Trimethoxybenzylidene)-4-(3',4'-methylenedioxy-.alpha.-hydroxybenzyl)-5-(1-menthyloxy)butyroactone
SpectraBase Compound ID 6ZrIUyUCcoE
InChI InChI=1S/C32H40O9/c1-17(2)21-9-7-18(3)11-24(21)40-32-28(29(33)20-8-10-23-25(15-20)39-16-38-23)22(31(34)41-32)12-19-13-26(35-4)30(37-6)27(14-19)36-5/h8,10,12-15,17-18,21,24,28-29,32-33H,7,9,11,16H2,1-6H3/b22-12-/t18?,21?,24?,28-,29?,32+/m0/s1
InChIKey RPHNVMFJXHJKGJ-ZGUJTNOESA-N
Mol Weight 568.7 g/mol
Molecular Formula C32H40O9
Exact Mass 568.267233 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HNNYVA4AETO
Name (-)-(4R,5R)-3-(3",4",5"-Trimethoxybenzylidene)-4-(3',4'-methylenedioxy-.alpha.-hydroxybenzyl)-5-(1-menthyloxy)butyroactone
Alternate Name(s) (-)-(4R,5R)-3-(3'',4'',5''-Trimethoxybenzylidene)-4-(3',4'-methylenedioxy-.alpha.-hydroxybenzyl)-5-(1-menthyloxy)butyroactone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H40O9
InChI InChI=1S/C32H40O9/c1-17(2)21-9-7-18(3)11-24(21)40-32-28(29(33)20-8-10-23-25(15-20)39-16-38-23)22(31(34)41-32)12-19-13-26(35-4)30(37-6)27(14-19)36-5/h8,10,12-15,17-18,21,24,28-29,32-33H,7,9,11,16H2,1-6H3/b22-12-/t18?,21?,24?,28-,29?,32+/m0/s1
InChIKey RPHNVMFJXHJKGJ-ZGUJTNOESA-N
Molecular Weight 568.663 g/mol
SMILES OC([C@@]1(\C(C(O[C@]1(OC1C(CCC(C1)C)C(C)C)[H])=O)=C\c1cc(OC)c(c(c1)OC)OC)[H])c1cc2OCOc2cc1
SPLASH splash10-0fsi-0690100000-9087b71015853825530e
Source of Spectrum F-50-10837-12
Wiley ID 789390