R, (2S)-

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Properties Simple | Detailed

Formula C29H40O10
IUPAC Name [(1r,2s,4ar,5s,6r,8s,8ar)-8-acetoxy-8a-(acetoxymethyl)-5,6-dimethyl-4-oxo-5-[2-(5-oxo-2h-furan-3-yl)ethyl]spiro[decalin-1,2'-oxirane]-2-yl] (2s)-2-methylbutanoate
Molecular Mass 548.622 g·mol−1
Heat of Formation -1810.7 ± 16.7 kJ·mol−1
Dipole Moment 5.49 ± 1.08 D
Volume 658.53 Å 3
Surface Area 469.97 Å 2
HOMO Energy -10.14 ± 0.55 eV
LUMO Energy 2.52 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-methylbutanoic acid [(1r,2s,4ar,5s,6r,8s,8ar)-8-acetoxy-8a-(acetoxymethyl)-5,6-dimethyl-4-oxo-5-[2-(5-oxo-2h-furan-3-yl)ethyl]-2-spiro[decalin-1,2'-oxirane]yl] ester
  • (2s)-2-methylbutyric acid [(1r,2s,4ar,5s,6r,8s,8ar)-8-acetoxy-8a-(acetoxymethyl)-4-keto-5-[2-(5-keto-2h-furan-3-yl)ethyl]-5,6-dimethyl-spiro[decalin-1,2'-oxirane]-2-yl] ester
  • [(1r,2s,4ar,5s,6r,8s,8ar)-8-acetoxy-8a-(acetoxymethyl)-5,6-dimethyl-4-oxo-5-[2-(5-oxo-2h-furan-3-yl)ethyl]spiro[decalin-1,2'-oxirane]-2-yl] (2s)-2-methylbutanoate
  • [(1r,2s,4ar,5s,6r,8s,8ar)-8-acetyloxy-8a-(acetyloxymethyl)-5,6-dimethyl-4-oxo-5-[2-(5-oxo-2h-furan-3-yl)ethyl]spiro[2,3,4a,6,7,8-hexahydronaphthalene-1,2'-oxirane]-2-yl] (2s)-2-methylbutanoate
InChIKey XUXQPEZRTLXTOS-HSOKWXGPSA-N
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