(1S,3R,4R,4Ar,8As)-4-Hydroxy-1-Methoxy-3-Methyl-4,4A,8,8A-Tetrahydro-1H-Isochromen-7(3H)-One

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Formula C11H16O4
IUPAC Name (1s,3r,4r,4ar,8as)-4-hydroxy-1-methoxy-3-methyl-1,3,4,4a,8,8a-hexahydroisochromen-7-one
Molecular Mass 212.242 g·mol−1
Heat of Formation -681.3 ± 16.7 kJ·mol−1
Dipole Moment 4.32 ± 1.08 D
Volume 252.7 Å 3
Surface Area 225.14 Å 2
HOMO Energy -9.99 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3r,4r,4ar,8as)-4-hydroxy-1-methoxy-3-methyl-1,3,4,4a,8,8a-hexahydroisochromen-7-one
  • (methyl 2,3,6-trideoxy-alpha-talopyranosido)-(3,2-d)-2-cyclohexanone
  • mttch
CAS Number(s)
  • 99096-13-6
InChIKey GQTSCLJUCLXAHP-OLSRCRKSSA-N
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