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.alpha.-D-arabino-2-Heptulopyranosidonic acid, methyl 3,7-dideoxy-7-(diethoxyphosphinyl)-, ethyl ester, diacetate
SpectraBase Compound ID 2f9FEHWwu9b
InChI InChI=1S/C18H31O11P/c1-7-24-16(21)18(22)11-17(6,28-13(5)20)15(27-12(4)19)14(29-18)10-30(23,25-8-2)26-9-3/h14-15,22H,7-11H2,1-6H3/t14-,15-,17-,18-/m1/s1
InChIKey VHNPYDGXYOSJDB-JOCBIADPSA-N
Mol Weight 454.41 g/mol
Molecular Formula C18H31O11P
Exact Mass 454.160399 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J3v84P7bQZg
Name .alpha.-D-arabino-2-Heptulopyranosidonic acid, methyl 3,7-dideoxy-7-(diethoxyphosphinyl)-, ethyl ester, diacetate
CAS Registry Number 105103-74-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H31O11P
InChI InChI=1S/C18H31O11P/c1-7-24-16(21)18(22)11-17(6,28-13(5)20)15(27-12(4)19)14(29-18)10-30(23,25-8-2)26-9-3/h14-15,22H,7-11H2,1-6H3/t14-,15-,17-,18-/m1/s1
InChIKey VHNPYDGXYOSJDB-JOCBIADPSA-N
Molecular Weight 454.409 g/mol
SMILES O[C@]1(O[C@](CP(=O)(OCC)OCC)([C@]([C@@](C1)(OC(=O)C)C)(OC(=O)C)[H])[H])C(=O)OCC
SPLASH splash10-03e9-0393000000-94fe5b348b7a210bcb4b
Source of Spectrum C-108-8014-12
Synonyms Ethyl 4,5-di-O-acetyl-3,7-dideoxy-7-(diethoxyphosphoryl)-4-C-methyl-.alpha.-D-arabino-hept-2-ulopyranosonate
Wiley ID 1388615