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CIBOTIGLYCEROL;(2-S)-1-O-(9-Z,12-Z-OCTADECADIENOYL)-3-O-(6-SULFO-ALPHA-D-QUINOVOPYRANOSYL)-GLYCEROL_SODIUM_SALT
SpectraBase Compound ID AQ9JZZ4FaRP
InChI InChI=1S/C27H48O11S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(29)36-18-21(28)19-37-27-26(32)25(31)24(30)22(38-27)20-39(33,34)35;/h6-7,9-10,21-22,24-28,30-32H,2-5,8,11-20H2,1H3,(H,33,34,35);/q;+1/p-1/b7-6-,10-9-;/t21-,22-,24-,25+,26-,27+;/m1./s1
InChIKey SWAAQLHEPIHCND-YYZFRIICSA-M
Mol Weight 602.7 g/mol
Molecular Formula C27H47NaO11S
Exact Mass 602.273678 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DbNuCAzR5gT
Name CIBOTIGLYCEROL;(2-S)-1-O-(9-Z,12-Z-OCTADECADIENOYL)-3-O-(6-SULFO-ALPHA-D-QUINOVOPYRANOSYL)-GLYCEROL_SODIUM_SALT
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H47NaO11S
InChI InChI=1S/C27H48O11S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(29)36-18-21(28)19-37-27-26(32)25(31)24(30)22(38-27)20-39(33,34)35;/h6-7,9-10,21-22,24-28,30-32H,2-5,8,11-20H2,1H3,(H,33,34,35);/q;+1/p-1/b7-6-,10-9-;/t21-,22-,24-,25+,26-,27+;/m1./s1
InChIKey SWAAQLHEPIHCND-YYZFRIICSA-M
Literature Reference Author N.X.CUONG,C.V.MINH,P.V.KIEM,H.T.HUONG,N.K.BAN,N.X.NHIEM,N.H. TUNG,J.W.JUNG,H.J.KI
Literature Reference Citation J.NAT.PROD.,72,1673(2009)
Literature Reference DOI 10.1021/np9004097
Molecular Weight 602.713 g/mol
Sample ID 33572
Solvent CD3OD