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[1R-(1.alpha.,3.alpha.,4.beta.,5.alpha.)]-1,3,4-Trihydroxy-5-[(diisopropoxyphosphinyl)methyl]cyclohexan-1-carboxylic acid
SpectraBase Compound ID IVaPYYx1zZD
InChI InChI=1S/C14H27O8P/c1-8(2)21-23(20,22-9(3)4)7-10-5-14(19,13(17)18)6-11(15)12(10)16/h8-12,15-16,19H,5-7H2,1-4H3,(H,17,18)/t10-,11-,12-,14+/m0/s1
InChIKey HCJHGOCHOBGKEC-ZJQBRPOHSA-N
Mol Weight 354.34 g/mol
Molecular Formula C14H27O8P
Exact Mass 354.144355 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HvhL6cnFFQz
Name [1R-(1.alpha.,3.alpha.,4.beta.,5.alpha.)]-1,3,4-Trihydroxy-5-[(diisopropoxyphosphinyl)methyl]cyclohexan-1-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H27O8P
InChI InChI=1S/C14H27O8P/c1-8(2)21-23(20,22-9(3)4)7-10-5-14(19,13(17)18)6-11(15)12(10)16/h8-12,15-16,19H,5-7H2,1-4H3,(H,17,18)/t10-,11-,12-,14+/m0/s1
InChIKey HCJHGOCHOBGKEC-ZJQBRPOHSA-N
Molecular Weight 354.336 g/mol
SMILES OC([C@]1(C[C@@](CP(=O)(OC(C)C)OC(C)C)([C@@]([C@](C1)(O)[H])(O)[H])[H])O)=O
SPLASH splash10-0002-9200000000-5d8f387a0dc9cf6d1624
Source of Spectrum C-114-4459-28
Synonyms (1R,3R,4S,5S)-3-[(diisopropoxyphosphoryl)methyl]-1,4,5-trihydroxycyclohexanecarboxylic acid
Wiley ID 1344275