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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: 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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B5qTfgeRUtC
Name (-)-(3S,4R,5R,6R)-3-(3',4'-Methylenedioxy..alpha.-hydroxybenzyl)-4-[3",4"-dimethoxy-.alpha.,.alpha.-bis(phenylthio)benzyl]-5-(1-menthyloxy)butyrolactone
Alternate Name(s) (-)-(3S,4R,5R,6R)-3-(3',4'-Dimethoxy..alpha.-hydroxybenzyl)-4-[3'',4''-dimethoxy-.alpha.,.alpha.-bis(phenylthio)benzyl]-5-(1-menthyloxy)butyrolactone (-)-(3S,4R,5R)-3-(3',4'-Dimethoxy-(R)-hydroxybenzyl)-4-[3'',4''-dimethoxy-.alpha.,.alpha.-bis(phenylthio)benzyl]-5-(1-menthyloxy)-dihydro-furan-2-one (-)-(3S,4R,5R)-3-(3',4'-Methylenedioxy-(R)-hydroxybenzyl)-4-[3'',4''-dimethoxy-.alpha.,.alpha.-bis(phenylthio)benzyl]-5-(1-menthyloxy)-dihydro-furan-2-one (3S,4R,5R)-4-{(3,4-dimethoxyphenyl)[bis(phenylsulfanyl)]methyl}-3-[(3,4-dimethoxyphenyl)(hydroxy)methyl]-5-[(4-isopropyl-1-methylcyclohexyl)oxy]dihydro-2(3H)-furanone (3S,4R,5R)-4-{(3,4-dimethoxyphenyl)[bis(phenylsulfanyl)]methyl}-3-[(R)-(3,4-dimethoxyphenyl)(hydroxy)methyl]-5-[(2-isopropyl-5-methylcyclohexyl)oxy]dihydro-2(3H)-furanone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 O[C@]([C@@]1([C@@](C(c2cc(OC)c(cc2)OC)(Sc2ccccc2)Sc2ccccc2)([C@@](OC1=O)(OC1(CCC(CC1)C(C)C)C)[H])[H])[H])(c1cc(OC)c(cc1)OC)[H]
SPLASH splash10-014i-0900000000-7501bae0601c8f9e30e6
Source of Spectrum KC-0-2626-6
Wiley ID 779946