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2-Acetylcalopin-7,8-carbonate
SpectraBase Compound ID EhSx4SSXPts
InChI InChI=1S/C16H16O7/c1-7-4-5-10(13-12(7)22-16(19)23-13)11-8(2)6-20-15(18)14(11)21-9(3)17/h4-5,8,11,14H,6H2,1-3H3/t8-,11-,14+/m1/s1
InChIKey OLOARYDKTUBPDW-UGQGEIBHSA-N
Mol Weight 320.3 g/mol
Molecular Formula C16H16O7
Exact Mass 320.089603 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KY6xsMWpVty
Name 2-Acetylcalopin-7,8-carbonate
Alternate Name(s) Acetic acid [(3S,4R,5S)-5-methyl-4-(7-methyl-2-oxo-1,3-benzodioxol-4-yl)-2-oxo-3-oxanyl] ester [(3S,4R,5S)-5-methyl-4-(7-methyl-2-oxo-1,3-benzodioxol-4-yl)-2-oxooxan-3-yl] acetate [(3S,4R,5S)-5-methyl-4-(7-methyl-2-oxo-1,3-benzodioxol-4-yl)-2-oxo-tetrahydropyran-3-yl] acetate [(3S,4R,5S)-5-methyl-4-(7-methyl-2-oxidanylidene-1,3-benzodioxol-4-yl)-2-oxidanylidene-oxan-3-yl] ethanoate
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Formula C16H16O7
InChI InChI=1S/C16H16O7/c1-7-4-5-10(13-12(7)22-16(19)23-13)11-8(2)6-20-15(18)14(11)21-9(3)17/h4-5,8,11,14H,6H2,1-3H3/t8-,11-,14+/m1/s1
InChIKey OLOARYDKTUBPDW-UGQGEIBHSA-N
Molecular Weight 320.297 g/mol
SMILES c12c([C@@]3([C@@](C(=O)OC[C@]3(C)[H])(OC(=O)C)[H])[H])ccc(c1OC(O2)=O)C
SPLASH splash10-03di-0090000000-1e1ec08b244b2aad241c
Source of Spectrum U1-2002-2901-1
Wiley ID 1522954