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1-O-(PHENYLACETYL)-(1S,6S,7R,8R,8AR)-1,6,7,8-TETRAHYDROXYOCTAHYDROINDOLIZINE;1-O-(PHENYLACETYL)-CASTANOSPERMINE
SpectraBase Compound ID 5fgGdNRTLAY
InChI InChI=1S/C16H21NO5/c18-11-9-17-7-6-12(14(17)16(21)15(11)20)22-13(19)8-10-4-2-1-3-5-10/h1-5,11-12,14-16,18,20-21H,6-9H2/t11-,12-,14+,15+,16+/m0/s1
InChIKey VKNFSNQSTXDQOB-BHQQPIICSA-N
Mol Weight 307.35 g/mol
Molecular Formula C16H21NO5
Exact Mass 307.141973 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3EaIfG59NfW
Name 1-O-(PHENYLACETYL)-(1S,6S,7R,8R,8AR)-1,6,7,8-TETRAHYDROXYOCTAHYDROINDOLIZINE;1-O-(PHENYLACETYL)-CASTANOSPERMINE
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Formula C16H21NO5
InChI InChI=1S/C16H21NO5/c18-11-9-17-7-6-12(14(17)16(21)15(11)20)22-13(19)8-10-4-2-1-3-5-10/h1-5,11-12,14-16,18,20-21H,6-9H2/t11-,12-,14+,15+,16+/m0/s1
InChIKey VKNFSNQSTXDQOB-BHQQPIICSA-N
Literature Reference Author A.L.MARGOLIN,D.L.DELINCK,M.R.WHALON
Literature Reference Citation J.AM.CHEM.SOC.,112,2849(1990)
Literature Reference DOI 10.1021/ja00164a001
Molecular Weight 307.346 g/mol
Solvent DMSO-D6
Source File Reference UWRU6543