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(-)-(3S,4R,5R,6R)-3-(3'',4'',5''-trimethoxy-.alpha.-hydroxybenzyl)-4-(3',4'-methylenedioxybenzoyl)-5-(1-menthyloxy)butyroactone

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(-)-(3S,4R,5R,6R)-3-(3'',4'',5''-trimethoxy-.alpha.-hydroxybenzyl)-4-(3',4'-methylenedioxybenzoyl)-5-(1-menthyloxy)butyroactone
SpectraBase Compound ID 4uS6GuNgF1K
InChI InChI=1S/C32H40O10/c1-16(2)20-9-7-17(3)11-22(20)41-32-27(28(33)18-8-10-21-23(12-18)40-15-39-21)26(31(35)42-32)29(34)19-13-24(36-4)30(38-6)25(14-19)37-5/h8,10,12-14,16-17,20,22,26-27,29,32,34H,7,9,11,15H2,1-6H3/t17?,20?,22?,26-,27-,29-,32+/m0/s1
InChIKey BDCMKUGAXNNYQX-AONGHCOPSA-N
Mol Weight 584.7 g/mol
Molecular Formula C32H40O10
Exact Mass 584.262147 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gpkhwod4274
Name (-)-(3S,4R,5R,6R)-3-(3'',4'',5''-trimethoxy-.alpha.-hydroxybenzyl)-4-(3',4'-methylenedioxybenzoyl)-5-(1-menthyloxy)butyroactone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 584.262147478 u
Formula C32H40O10
InChI InChI=1S/C32H40O10/c1-16(2)20-9-7-17(3)11-22(20)41-32-27(28(33)18-8-10-21-23(12-18)40-15-39-21)26(31(35)42-32)29(34)19-13-24(36-4)30(38-6)25(14-19)37-5/h8,10,12-14,16-17,20,22,26-27,29,32,34H,7,9,11,15H2,1-6H3/t17?,20?,22?,26-,27-,29-,32+/m0/s1
InChIKey BDCMKUGAXNNYQX-AONGHCOPSA-N
Molecular Weight 584.662 g/mol
SMILES [C@@]1([C@](C(=O)O[C@]1(OC1C(CCC(C1)C)C(C)C)[H])([C@](C=1C=C(OC)C(=C(C1)OC)OC)(O)[H])[H])(C(C=1C=C2OCOC2=CC1)=O)[H]