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(3S,4R)-4-[(3',4'-Methylenedioxy)benzyl]-3-[3",4",5"-trimethoxy-.alpha.-hydroxy-.alpha.-deuteriobenzyl]-tetrahydrofuran-2-one

View entire compound with spectra: 1 MS (GC)

(3S,4R)-4-[(3',4'-Methylenedioxy)benzyl]-3-[3",4",5"-trimethoxy-.alpha.-hydroxy-.alpha.-deuteriobenzyl]-tetrahydrofuran-2-one
SpectraBase Compound ID 3SCg9UMCFZo
InChI InChI=1S/C22H24O8/c1-25-17-8-13(9-18(26-2)21(17)27-3)20(23)19-14(10-28-22(19)24)6-12-4-5-15-16(7-12)30-11-29-15/h4-5,7-9,14,19-20,23H,6,10-11H2,1-3H3/t14-,19-,20?/m0/s1/i20D
InChIKey UNWCWBJEKCTIML-ONMFUSFISA-N
Mol Weight 417.43 g/mol
Molecular Formula C22H232DO8
Exact Mass 417.153394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DDTUEgLiqI0
Name (3S,4R)-4-[(3',4'-Methylenedioxy)benzyl]-3-[3",4",5"-trimethoxy-.alpha.-hydroxy-.alpha.-deuteriobenzyl]-tetrahydrofuran-2-one
Alternate Name(s) 4-[(3',4'-Methylenedioxy)benzyl]-3-[3'',4'',5''-trimethoxy-.alpha.-hydroxy-.alpha.-deuteriobenzyl]-tetrahydrofuran-2-one 7-Deuterio-podorhizol
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Formula C22H23DO8
InChI InChI=1S/C22H24O8/c1-25-17-8-13(9-18(26-2)21(17)27-3)20(23)19-14(10-28-22(19)24)6-12-4-5-15-16(7-12)30-11-29-15/h4-5,7-9,14,19-20,23H,6,10-11H2,1-3H3/t14-,19-,20?/m0/s1/i20D
InChIKey UNWCWBJEKCTIML-ONMFUSFISA-N
Molecular Weight 417.432 g/mol
SMILES OC(c1cc(OC)c(c(c1)OC)OC)([C@]1(C(OC[C@@]1(Cc1cc2OCOc2cc1)[H])=O)[H])[2D]
SPLASH splash10-000i-2910000000-129fcb2007ff040b4b45
Source of Spectrum X2-57-799-17
Wiley ID 1605463