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(E)-(1S,2S,3R,4S)-4-[(Benzyloxy)amino]-2,3-o-isopyopylidene-6-(tributylstannyl)-5-methylenecyclopentane-1,2,3-triol
SpectraBase Compound ID Bre26VwNKNn
InChI InChI=1S/C16H20NO4.3C4H9.Sn/c1-10-12(17-19-9-11-7-5-4-6-8-11)14-15(13(10)18)21-16(2,3)20-14;3*1-3-4-2;/h1,4-8,12-15,17-18H,9H2,2-3H3;3*1,3-4H2,2H3;/t12-,13-,14+,15-;;;;/m0..../s1
InChIKey DECYALGWVCAKLV-HBSZNUFSSA-N
Mol Weight 580.4 g/mol
Molecular Formula C28H47NO4Sn
Exact Mass 581.252711 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F43NJnC3nsX
Name (E)-(1S,2S,3R,4S)-4-[(Benzyloxy)amino]-2,3-o-isopyopylidene-6-(tributylstannyl)-5-methylenecyclopentane-1,2,3-triol
Comments Computed using HOSE algorithm
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Exact Mass 581.252710993 u
Formula C28H47NO4Sn
InChI InChI=1S/C16H20NO4.3C4H9.Sn/c1-10-12(17-19-9-11-7-5-4-6-8-11)14-15(13(10)18)21-16(2,3)20-14;3*1-3-4-2;/h1,4-8,12-15,17-18H,9H2,2-3H3;3*1,3-4H2,2H3;/t12-,13-,14+,15-;;;;/m0..../s1
InChIKey DECYALGWVCAKLV-HBSZNUFSSA-N
Molecular Weight 580.398 g/mol
SMILES [C@@]1(\C([C@@]([C@@]2(OC(O[C@]12[H])(C)C)[H])(O)[H])=C/[Sn](CCCC)(CCCC)CCCC)(NOCC1=CC=CC=C1)[H]