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(-)-(3S,4R,5R,6R)-3-(3',4'-Methylenedioxy..alpha.-hydroxybenzyl)-4-[3",4"-dimethoxy-.alpha.,.alpha.-bis(phenylthio)benzyl]-5-(1-menthyloxy)butyrolactone

View entire compound with spectra: 1 NMR, and 2 MS (GC)

(-)-(3S,4R,5R,6R)-3-(3',4'-Methylenedioxy..alpha.-hydroxybenzyl)-4-[3",4"-dimethoxy-.alpha.,.alpha.-bis(phenylthio)benzyl]-5-(1-menthyloxy)butyrolactone
SpectraBase Compound ID 6AxjMwTVyjY
InChI InChI=1S/C44H52O8S2/c1-28(2)29-22-24-43(3,25-23-29)52-42-39(38(41(46)51-42)40(45)30-18-20-34(47-4)36(26-30)49-6)44(53-32-14-10-8-11-15-32,54-33-16-12-9-13-17-33)31-19-21-35(48-5)37(27-31)50-7/h8-21,26-29,38-40,42,45H,22-25H2,1-7H3/t29?,38-,39+,40-,42-,43?/m0/s1
InChIKey WOKBJBOBCQJMOX-TYCDFLOISA-N
Mol Weight 773.0 g/mol
Molecular Formula C44H52O8S2
Exact Mass 772.310361 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Lb9oGEVhAB
Name (-)-(3S,4R,5R,6R)-3-(3',4'-methylenedioxy..alpha.-hydroxybenzyl)-4-[3'',4''-dimethoxy-.alpha.,.alpha.-bis(phenylthio)benzyl]-5-(1-menthyloxy)butyrolactone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 772.310360974 u
Formula C44H52O8S2
InChI InChI=1S/C44H52O8S2/c1-28(2)29-22-24-43(3,25-23-29)52-42-39(38(41(46)51-42)40(45)30-18-20-34(47-4)36(26-30)49-6)44(53-32-14-10-8-11-15-32,54-33-16-12-9-13-17-33)31-19-21-35(48-5)37(27-31)50-7/h8-21,26-29,38-40,42,45H,22-25H2,1-7H3/t29?,38-,39+,40-,42-,43?/m0/s1
InChIKey WOKBJBOBCQJMOX-TYCDFLOISA-N
Molecular Weight 773.012 g/mol
SMILES [C@]1(C(C2=CC(OC)=C(C=C2)OC)(SC2=CC=CC=C2)SC=2C=CC=CC2)([C@](C(=O)O[C@]1(OC1(CCC(CC1)C(C)C)C)[H])([C@](C1=CC(OC)=C(C=C1)OC)(O)[H])[H])[H]