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STELLETTACHOLINE-A;1-O-[(Z)-(2S)-2-METHOXY-12-METHYLOCTADECA-7,17-DIEN-5-YNOYL]-SN-GLYCERO-3-PHOSPHOCHOLINE
SpectraBase Compound ID 1jj8D61h9Tu
InChI InChI=1S/C28H50NO8P/c1-7-8-9-15-18-25(2)19-16-13-11-10-12-14-17-20-27(34-6)28(31)35-23-26(30)24-37-38(32,33)36-22-21-29(3,4)5/h7,10-11,25-27,30H,1,8-9,13,15-24H2,2-6H3/b11-10-/t25?,26-,27-/m0/s1
InChIKey DEHUAXGMZWQADO-AGSUOGTNSA-N
Mol Weight 559.7 g/mol
Molecular Formula C28H50NO8P
Exact Mass 559.327405 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AR515OuxQn4
Name STELLETTACHOLINE-A;1-O-[(Z)-(2S)-2-METHOXY-12-METHYLOCTADECA-7,17-DIEN-5-YNOYL]-SN-GLYCERO-3-PHOSPHOCHOLINE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H50NO8P
InChI InChI=1S/C28H50NO8P/c1-7-8-9-15-18-25(2)19-16-13-11-10-12-14-17-20-27(34-6)28(31)35-23-26(30)24-37-38(32,33)36-22-21-29(3,4)5/h7,10-11,25-27,30H,1,8-9,13,15-24H2,2-6H3/b11-10-/t25?,26-,27-/m0/s1
InChIKey DEHUAXGMZWQADO-AGSUOGTNSA-N
Literature Reference Author Q.ZHAO,T.A.MANSOOR,J.HONG,C.O.LEE,K.S.IM,D.S.LEE,J.H.JUNG
Literature Reference Citation J.NAT.PROD.,66,725(2003)
Literature Reference DOI 10.1021/np0300075
Molecular Weight 559.681 g/mol
Solvent CD3OD