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2(3H)-Furanone, 3-(1,3-benzodioxol-5-ylhydroxymethyl)-4-[(3,4-dimethoxyphenyl)bis(phenylthio)methyl]dihydro-, [3.alpha.(R*),4.beta.]-
SpectraBase Compound ID Ch4Ff8xWnyT
InChI InChI=1S/C33H30O7S2/c1-36-26-16-14-22(18-28(26)37-2)33(41-23-9-5-3-6-10-23,42-24-11-7-4-8-12-24)25-19-38-32(35)30(25)31(34)21-13-15-27-29(17-21)40-20-39-27/h3-18,25,30-31,34H,19-20H2,1-2H3/t25-,30-,31-/m0/s1
InChIKey RHDCFSWGXXKMBA-YYXXCONNSA-N
Mol Weight 602.7 g/mol
Molecular Formula C33H30O7S2
Exact Mass 602.143296 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A7SmRgJgLTr
Name 2(3H)-Furanone, 3-(1,3-benzodioxol-5-ylhydroxymethyl)-4-[(3,4-dimethoxyphenyl)bis(phenylthio)methyl]dihydro-, [3.alpha.(R*),4.beta.]-
Alternate Name(s) (3S,4R)-3-[(R)-1,3-benzodioxol-5-yl(hydroxy)methyl]-4-{(3,4-dimethoxyphenyl)[bis(phenylsulfanyl)]methyl}dihydro-2(3H)-furanone 3-[3'',4''-dimethoxy-.alpha.,.alpha.-bis(phenylthio)ben-ayl](.alpha.-hydroxy-3',4'-methylenedioxybenzyl)-.gamma.-butyrolactone
CAS Registry Number 103844-12-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H30O7S2
InChI InChI=1S/C33H30O7S2/c1-36-26-16-14-22(18-28(26)37-2)33(41-23-9-5-3-6-10-23,42-24-11-7-4-8-12-24)25-19-38-32(35)30(25)31(34)21-13-15-27-29(17-21)40-20-39-27/h3-18,25,30-31,34H,19-20H2,1-2H3/t25-,30-,31-/m0/s1
InChIKey RHDCFSWGXXKMBA-YYXXCONNSA-N
Molecular Weight 602.716 g/mol
SMILES O[C@]([C@@]1([C@@](C(c2cc(OC)c(cc2)OC)(Sc2ccccc2)Sc2ccccc2)(COC1=O)[H])[H])(c1cc2OCOc2cc1)[H]
SPLASH splash10-0002-0910000000-97aa5c364161bb98435c
Source of Spectrum KC-1988-1608-6
Wiley ID 1410296