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(R)-3-HEXADECANOYL-5-HYDROXYMETHYL-TETRONIC-ACID-CALCIUM-SALT
SpectraBase Compound ID ZxVso2bi2p
InChI InChI=1S/2C21H36O5.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(23)19-20(24)18(16-22)26-21(19)25;/h2*18,22,24H,2-16H2,1H3;/q;;+2/p-2/t2*18-;/m11./s1
InChIKey LNDPLBYJXMIJFP-ZMFXSWHNSA-L
Mol Weight 775.1 g/mol
Molecular Formula C42H70CaO10
Exact Mass 774.459489 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 32iFwAWeDlt
Name (R)-3-HEXADECANOYL-5-HYDROXYMETHYL-TETRONIC-ACID-CALCIUM-SALT
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H70CaO10
InChI InChI=1S/2C21H36O5.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(23)19-20(24)18(16-22)26-21(19)25;/h2*18,22,24H,2-16H2,1H3;/q;;+2/p-2/t2*18-;/m11./s1
InChIKey LNDPLBYJXMIJFP-ZMFXSWHNSA-L
Literature Reference Author M.SODEOKA,R.SAMPE,S.KOJIMA,Y.BABA,N.MORISAKI,Y.HASHIMOTO
Literature Reference Citation CHEM.PHARM.BULL.,49,206(2001)
Literature Reference DOI 10.1248/cpb.49.206
Molecular Weight 775.092 g/mol
Solvent CD3OD
Source File Reference UWVN28990