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METHYL-1,4,5-O-TRIACETYL-(-)-QUINATE-DIBENZYL-3-PHOSPHATE
SpectraBase Compound ID 9yzh9bOBHpY
InChI InChI=1S/C28H33O12P/c1-19(29)37-24-15-28(27(32)34-4,39-21(3)31)16-25(26(24)38-20(2)30)40-41(33,35-17-22-11-7-5-8-12-22)36-18-23-13-9-6-10-14-23/h5-14,24-26H,15-18H2,1-4H3/t24-,25-,26+,28-/m1/s1
InChIKey YTOGFQILDPCEEG-WTVRZORLSA-N
Mol Weight 592.5 g/mol
Molecular Formula C28H33O12P
Exact Mass 592.170963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IaF1Xey6PAx
Name Methyl 1,4,5-Ttriaxetyl-(-)-Quinate Dibenzyl 3-Phosphate
Alternate Name(s) Methyl 1,4,5-Ttriacetyl-(-)-Quinate Dibenzyl 3-Phosphate (1R,3R,4S,5R)-1,3,4-triacetyloxy-5-bis(phenylmethoxy)phosphoryloxy-1-cyclohexanecarboxylic acid methyl ester Methyl (1R,3R,4S,5R)-1,3,4-triacetyloxy-5-bis(phenylmethoxy)phosphoryloxycyclohexane-1-carboxylate Methyl (1R,3R,4S,5R)-1,3,4-triacetoxy-5-dibenzyloxyphosphoryloxy-cyclohexanecarboxylate Methyl (1R,3R,4S,5R)-1,3,4-triacetyloxy-5-bis(phenylmethoxy)phosphoryloxy-cyclohexane-1-carboxylate
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Formula C28H33O12P
InChI InChI=1S/C28H33O12P/c1-19(29)37-24-15-28(27(32)34-4,39-21(3)31)16-25(26(24)38-20(2)30)40-41(33,35-17-22-11-7-5-8-12-22)36-18-23-13-9-6-10-14-23/h5-14,24-26H,15-18H2,1-4H3/t24-,25-,26+,28-/m1/s1
InChIKey YTOGFQILDPCEEG-WTVRZORLSA-N
Molecular Weight 592.534 g/mol
SMILES [C@@]1(C[C@@](OP(=O)(OCc2ccccc2)OCc2ccccc2)([C@]([C@@](C1)(OC(=O)C)[H])(OC(=O)C)[H])[H])(C(=O)OC)OC(=O)C
SPLASH splash10-004l-0903050000-d5aac891339244919904
Source of Spectrum J-57-5801-9b
Wiley ID 1408940