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(R) (3R,4'S,5'S) 4-(Benzo[1,3]dioxol-5-carbonyl)-3-[(benzo[1,3]dioxol-5'-yl)methyl]-4,5-dihydrofuran-2(3H)-one
SpectraBase Compound ID FrX1UNTk6iM
InChI InChI=1S/C26H30N2O5/c1-25(2)32-16-22(24(33-25)18-8-6-5-7-9-18)28(3)26(17-27,20-14-23(29)31-15-20)19-10-12-21(30-4)13-11-19/h5-13,20,22,24H,14-16H2,1-4H3/t20-,22-,24-,26-/m0/s1
InChIKey NDHRZPWPASKNPS-GRLIWSMHSA-N
Mol Weight 450.54 g/mol
Molecular Formula C26H30N2O5
Exact Mass 450.215472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ET2D9DtJTp
Name (R) (3R,4'S,5'S) 4-(Benzo[1,3]dioxol-5-carbonyl)-3-[(benzo[1,3]dioxol-5'-yl)methyl]-4,5-dihydrofuran-2(3H)-one
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Formula C26H30N2O5
InChI InChI=1S/C26H30N2O5/c1-25(2)32-16-22(24(33-25)18-8-6-5-7-9-18)28(3)26(17-27,20-14-23(29)31-15-20)19-10-12-21(30-4)13-11-19/h5-13,20,22,24H,14-16H2,1-4H3/t20-,22-,24-,26-/m0/s1
InChIKey NDHRZPWPASKNPS-GRLIWSMHSA-N
Molecular Weight 450.535 g/mol
SMILES [C@@](N([C@@]1([C@@](OC(OC1)(C)C)(c1ccccc1)[H])[H])C)([C@]1(CC(=O)OC1)[H])(C#N)c1ccc(cc1)OC
SPLASH splash10-115i-1390000000-a49e214631390ddc6838
Source of Spectrum U-1996-1364-4
Synonyms (2R)-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl](methyl)amino](4-methoxyphenyl)[(3R)-5-oxotetrahydro-3-furanyl]ethanenitrile [(2',2'-Dimethyl-4'-phenyl[1,3]dioxan-5'-yl)methylamino]-(4'-methoxyphenyl)-(5-oxotetrahydrofuran-3-yl)-acetonitrile
Wiley ID 768837