For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Acetic acid (1R,2R,3S,5S,6S)-2,3,6-triacetoxy-5-acetoxymethyl-cyclohexyl ester
SpectraBase Compound ID BXdXrnsIkh6
InChI InChI=1S/C17H24O10/c1-8(18)23-7-13-6-14(24-9(2)19)16(26-11(4)21)17(27-12(5)22)15(13)25-10(3)20/h13-17H,6-7H2,1-5H3/t13-,14-,15-,16+,17+/m0/s1
InChIKey NHQQATCRVHXHKV-SMLCLMEVSA-N
Mol Weight 388.37 g/mol
Molecular Formula C17H24O10
Exact Mass 388.136947 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 60D7TyWDcrq
Name Acetic acid (1R,2R,3S,5S,6S)-2,3,6-triacetoxy-5-acetoxymethyl-cyclohexyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O10
InChI InChI=1S/C17H24O10/c1-8(18)23-7-13-6-14(24-9(2)19)16(26-11(4)21)17(27-12(5)22)15(13)25-10(3)20/h13-17H,6-7H2,1-5H3/t13-,14-,15-,16+,17+/m0/s1
InChIKey NHQQATCRVHXHKV-SMLCLMEVSA-N
Molecular Weight 388.369 g/mol
SMILES [C@]1([C@@]([C@@](OC(=O)C)(C[C@]([C@@]1(OC(=O)C)[H])(COC(=O)C)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H]
SPLASH splash10-010r-3920000000-657602d91660668dd5f6
Source of Spectrum F5-3-1961-33
Synonyms [(1S,2S,3R,4R,5R)-2,3,4,5-tetrakis(Acetyloxy)cyclohexyl]methyl Acetate (1S,2R,3R,4S,5S)-5-(acetoxymethyl)cyclohexane-1,2,3,4-tetrayl tetraacetate
Wiley ID 1732320