(5S,5As,8As)-5-(3,4,5-Trimethoxyphenyl)-5,8,8A,9-Tetrahydrofuro[3',4':6,7]Naphtho[2,3-D][1,3]Dioxol-6(5Ah)-One

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Properties Simple | Detailed

Formula C22H22O7
IUPAC Name (5s,5as,8as)-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5h-isobenzofuro[5,6-f][1,3]benzodioxol-6-one
Molecular Mass 398.406 g·mol−1
Heat of Formation -885.1 ± 16.7 kJ·mol−1
Dipole Moment 2.62 ± 1.08 D
Volume 445.82 Å 3
Surface Area 374.11 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • (5as,8as,9s)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5h-isobenzofurano[5,6-f][1,3]benzodioxol-8-one
  • as 2-3
  • furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one, 5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, (5r,5ar,8ar)-
  • furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one, 5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, (5r-(5alpha,5abeta,8aalpha))-
  • hernandion
CAS Number(s)
  • 24150-31-0
  • 518-30-9
  • 75805-80-0
  • 1836-86-8
InChIKey ZGLXUQQMLLIKAN-CAYVGHNUSA-N
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