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Isopropyl 6-O-Benzoyl-4-[N,N-(diethylcarboxamido)methyl]-2,3,4-trideoxy-.alpha.-D-erythro-hex-2-enopyranoside
SpectraBase Compound ID 2D8je1e91RE
InChI InChI=1S/C22H31NO5/c1-5-23(6-2)20(24)14-18-12-13-21(27-16(3)4)28-19(18)15-26-22(25)17-10-8-7-9-11-17/h7-13,16,18-19,21H,5-6,14-15H2,1-4H3/t18-,19-,21+/m1/s1
InChIKey ZFIOTNXHWJBVIK-SBHAEUEKSA-N
Mol Weight 389.49 g/mol
Molecular Formula C22H31NO5
Exact Mass 389.220223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LMQ2qcBQjSt
Name Isopropyl 6-O-Benzoyl-4-[N,N-(diethylcarboxamido)methyl]-2,3,4-trideoxy-.alpha.-D-erythro-hex-2-enopyranoside
Alternate Name(s) benzoic acid [(2S,3S,6S)-3-[2-(diethylamino)-2-oxoethyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methyl ester [(2S,3S,6S)-3-[2-(diethylamino)-2-oxoethyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methyl benzoate [(2S,3S,6S)-3-[2-(diethylamino)-2-oxo-ethyl]-6-isopropoxy-3,6-dihydro-2H-pyran-2-yl]methyl benzoate [(2S,3S,6S)-3-[2-(diethylamino)-2-oxidanylidene-ethyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methyl benzoate
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Formula C22H31NO5
InChI InChI=1S/C22H31NO5/c1-5-23(6-2)20(24)14-18-12-13-21(27-16(3)4)28-19(18)15-26-22(25)17-10-8-7-9-11-17/h7-13,16,18-19,21H,5-6,14-15H2,1-4H3/t18-,19-,21+/m1/s1
InChIKey ZFIOTNXHWJBVIK-SBHAEUEKSA-N
Molecular Weight 389.492 g/mol
SMILES C(C[C@]1(C=C[C@](O[C@@]1(COC(=O)c1ccccc1)[H])(OC(C)C)[H])[H])(N(CC)CC)=O
SPLASH splash10-0a4i-0092000000-62acefa4fe363aa4d8e5
Source of Spectrum SK-25-1469-11
Wiley ID 866706