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(1R,2S,3R,4S,1'S)-(-)-2,3-Isopropylidenedioxy-4-(1'-hydroxy-1'-[(1S,2R)-(2-hydroxy-1-methyl-2-phenyl)ethylaminomethyl]-1'-methoxycarbonylmethyl)cyclopentane-1-carboxylic acid methyl ester
SpectraBase Compound ID QFXieTdEE0
InChI InChI=1S/C23H33NO8/c1-13(17(25)14-9-7-6-8-10-14)24-12-23(28,21(27)30-5)16-11-15(20(26)29-4)18-19(16)32-22(2,3)31-18/h6-10,13,15-19,24-25,28H,11-12H2,1-5H3/t13-,15+,16-,17-,18-,19+,23+/m0/s1
InChIKey BHKYWNQBYLDMIX-GLAWSJGESA-N
Mol Weight 451.5 g/mol
Molecular Formula C23H33NO8
Exact Mass 451.220617 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KXZ6bpg9lPN
Name (1R,2S,3R,4S,1'S)-(-)-2,3-Isopropylidenedioxy-4-(1'-hydroxy-1'-[(1S,2R)-(2-hydroxy-1-methyl-2-phenyl)ethylaminomethyl]-1'-methoxycarbonylmethyl)cyclopentane-1-carboxylic acid methyl ester
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Formula C23H33NO8
InChI InChI=1S/C23H33NO8/c1-13(17(25)14-9-7-6-8-10-14)24-12-23(28,21(27)30-5)16-11-15(20(26)29-4)18-19(16)32-22(2,3)31-18/h6-10,13,15-19,24-25,28H,11-12H2,1-5H3/t13-,15+,16-,17-,18-,19+,23+/m0/s1
InChIKey BHKYWNQBYLDMIX-GLAWSJGESA-N
Molecular Weight 451.516 g/mol
SMILES N(C[C@@]([C@@]1([C@@]2([C@](OC(O2)(C)C)([H])[C@@](C1)(C(=O)OC)[H])[H])[H])(C(=O)OC)O)[C@]([C@@](c1ccccc1)(O)[H])(C)[H]
SPLASH splash10-03di-0973100000-03020e46b6a2950bc5cf
Source of Spectrum F-51-11853-28
Synonyms Methyl (3aS,4R,6S,6aR)-6-[(1S)-1-hydroxy-1-({[(1S,2R)-2-hydroxy-1-methyl-2-phenylethyl]amino}methyl)-2-methoxy-2-oxoethyl]-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxole-4-carboxylate
Wiley ID 793885