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4,6-O-Cyclopentylidene-D-gluco-octan-2,3,5,7-tetraol 3,5,7-triacetate
SpectraBase Compound ID 52KCDEMpKqR
InChI InChI=1S/C20H32O9/c1-11(25-12(2)21)15-16(26-13(3)22)17(18(19(5,6)24)27-14(4)23)29-20(28-15)9-7-8-10-20/h11,15-18,24H,7-10H2,1-6H3/t11-,15-,16+,17-,18-/m1/s1
InChIKey ZGIRIHZSBNVAKL-TTWKMZFLSA-N
Mol Weight 416.5 g/mol
Molecular Formula C20H32O9
Exact Mass 416.204633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9NPb3bxiXuP
Name 4,6-O-Cyclopentylidene-D-gluco-octan-2,3,5,7-tetraol 3,5,7-triacetate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O9
InChI InChI=1S/C20H32O9/c1-11(25-12(2)21)15-16(26-13(3)22)17(18(19(5,6)24)27-14(4)23)29-20(28-15)9-7-8-10-20/h11,15-18,24H,7-10H2,1-6H3/t11-,15-,16+,17-,18-/m1/s1
InChIKey ZGIRIHZSBNVAKL-TTWKMZFLSA-N
Molecular Weight 416.467 g/mol
SMILES OC([C@@]([C@]1([C@]([C@@]([C@](OC(=O)C)(C)[H])(OC2(O1)CCCC2)[H])(OC(=O)C)[H])[H])(OC(=O)C)[H])(C)C
SPLASH splash10-0006-9000000000-9bdeaaa223ca3e2da895
Source of Spectrum J-64-2143-17
Synonyms acetic acid [(7R,8S,9R)-7-[(1R)-1-acetyloxyethyl]-9-[(1R)-1-acetyloxy-2-hydroxy-2-methylpropyl]-6,10-dioxaspiro[4.5]decan-8-yl] ester [(7R,8S,9R)-7-[(1R)-1-acetyloxyethyl]-9-[(1R)-1-acetyloxy-2-hydroxy-2-methylpropyl]-6,10-dioxaspiro[4.5]decan-8-yl] acetate [(7R,8S,9R)-7-[(1R)-1-acetoxyethyl]-9-[(1R)-1-acetoxy-2-hydroxy-2-methyl-propyl]-6,10-dioxaspiro[4.5]decan-8-yl] acetate [(7R,8S,9R)-7-[(1R)-1-acetyloxyethyl]-9-[(1R)-1-acetyloxy-2-methyl-2-oxidanyl-propyl]-6,10-dioxaspiro[4.5]decan-8-yl] ethanoate
Wiley ID 1529640