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D-arabino-Heptonic acid, 2,3-dideoxy-5,6-O-(1-methylethylidene)-, .gamma.-lactone, acetate
SpectraBase Compound ID FpV9unk0wbI
InChI InChI=1S/C12H18O6/c1-7(13)15-6-9-11(18-12(2,3)17-9)8-4-5-10(14)16-8/h8-9,11H,4-6H2,1-3H3/t8-,9-,11+/m1/s1
InChIKey PRFMUOPXNPGRGV-KKZNHRDASA-N
Mol Weight 258.27 g/mol
Molecular Formula C12H18O6
Exact Mass 258.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2KEnw7QhGE
Name D-arabino-Heptonic acid, 2,3-dideoxy-5,6-O-(1-methylethylidene)-, .gamma.-lactone, acetate
Alternate Name(s) 7-O-acetyl-2,3-dideoxy-5,6-O-isopropyliden-D-arabino-heptono-.gamma.-lactone [(4R,5S)-2,2-dimethyl-5-[(2R)-5-oxooxolan-2-yl]-1,3-dioxolan-4-yl]methyl acetate
CAS Registry Number 69863-73-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O6
InChI InChI=1S/C12H18O6/c1-7(13)15-6-9-11(18-12(2,3)17-9)8-4-5-10(14)16-8/h8-9,11H,4-6H2,1-3H3/t8-,9-,11+/m1/s1
InChIKey PRFMUOPXNPGRGV-KKZNHRDASA-N
Molecular Weight 258.270 g/mol
SMILES [C@]1([C@](OC(O1)(C)C)(COC(=O)C)[H])([C@@]1(OC(=O)CC1)[H])[H]
SPLASH splash10-0006-9530000000-903dba06d9acf3d2ff28
Source of Spectrum K-112-171-4
Wiley ID 1261407