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(-)-(3R,4R,5R)-3-(3',4',5'-Trimethoxybenzyl)-4-[3",4"-methylenedioxy-.alpha.,.alpha.-bis(phenylthio)benzyl]-5-(1-menthyloxy)butyrolactone
SpectraBase Compound ID 2KE4KdornWZ
InChI InChI=1S/C44H50O8S2/c1-27(2)33-19-17-28(3)21-36(33)51-43-40(34(42(45)52-43)22-29-23-38(46-4)41(48-6)39(24-29)47-5)44(53-31-13-9-7-10-14-31,54-32-15-11-8-12-16-32)30-18-20-35-37(25-30)50-26-49-35/h7-16,18,20,23-25,27-28,33-34,36,40,43H,17,19,21-22,26H2,1-6H3/t28?,33?,34-,36?,40-,43-/m1/s1
InChIKey NOWWEXPBSIPJHF-QTWBAPGYSA-N
Mol Weight 771.0 g/mol
Molecular Formula C44H50O8S2
Exact Mass 770.294711 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Hx5qG8fReA
Name (-)-(3R,4R,5R)-3-(3',4',5'-Trimethoxybenzyl)-4-[3",4"-methylenedioxy-.alpha.,.alpha.-bis(phenylthio)benzyl]-5-(1-menthyloxy)butyrolactone
Alternate Name(s) (3R,4R,5R)-4-(Benzo[1,3]dioxol-5-yl-bis-phenylsulfanyl-methyl)-5-(2-isopropyl-5-methyl-cyclohexyloxy)-3-(3,4,5-trimethoxy-benzyl)-dihydro-furan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H50O8S2
InChI InChI=1S/C44H50O8S2/c1-27(2)33-19-17-28(3)21-36(33)51-43-40(34(42(45)52-43)22-29-23-38(46-4)41(48-6)39(24-29)47-5)44(53-31-13-9-7-10-14-31,54-32-15-11-8-12-16-32)30-18-20-35-37(25-30)50-26-49-35/h7-16,18,20,23-25,27-28,33-34,36,40,43H,17,19,21-22,26H2,1-6H3/t28?,33?,34-,36?,40-,43-/m1/s1
InChIKey NOWWEXPBSIPJHF-QTWBAPGYSA-N
Molecular Weight 770.996 g/mol
SMILES C([C@]1([C@@](OC([C@@]1(Cc1cc(OC)c(c(c1)OC)OC)[H])=O)(OC1C(CCC(C1)C)C(C)C)[H])[H])(c1cc2OCOc2cc1)(Sc1ccccc1)Sc1ccccc1
SPLASH splash10-0006-0092100000-041c159478366bfebd4d
Source of Spectrum KC-0-2635-2c
Wiley ID 779933