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4,7-Methano-1,3-dioxolo[4,5-c]oxepin-6(4H)-one, 7-(acetyloxy)tetrahydro-2,2-dimethyl-, (3a.alpha.,4.beta.,7.alpha.,8a.alpha.)-
SpectraBase Compound ID 7kDN4stZn3c
InChI InChI=1S/C12H16O6/c1-6(13)16-12-4-7(15-10(12)14)9-8(5-12)17-11(2,3)18-9/h7-9H,4-5H2,1-3H3/t7-,8-,9+,12+/m0/s1
InChIKey HDESZAGGYOKPFH-APOZVJGGSA-N
Mol Weight 256.25 g/mol
Molecular Formula C12H16O6
Exact Mass 256.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I6sKfKccGNT
Name 4,7-Methano-1,3-dioxolo[4,5-c]oxepin-6(4H)-one, 7-(acetyloxy)tetrahydro-2,2-dimethyl-, (3a.alpha.,4.beta.,7.alpha.,8a.alpha.)-
CAS Registry Number 42566-78-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O6
InChI InChI=1S/C12H16O6/c1-6(13)16-12-4-7(15-10(12)14)9-8(5-12)17-11(2,3)18-9/h7-9H,4-5H2,1-3H3/t7-,8-,9+,12+/m0/s1
InChIKey HDESZAGGYOKPFH-APOZVJGGSA-N
Molecular Weight 256.254 g/mol
SMILES [C@]12(C(O[C@](C2)([H])[C@@]2([C@](C1)(OC(C)(C)O2)[H])[H])=O)OC(=O)C
SPLASH splash10-0006-9070000000-2f4b39879b7d06bbaaa0
Source of Spectrum F-46-4147-11
Synonyms (1R,3R,4R,5R)-3,4-O,O'-isopropylidene quinide acetate (1S,2S,6S,8S)-4,4-dimethyl-9-oxo-3,5,10-trioxatricyclo[6.2.1.0(2,6)]undec-8-yl acetate
Wiley ID 1259416