(6As,11As)-9-Methoxy-10-(3-Methyl-2-Buten-1-Yl)-6H-[1]Benzofuro[3,2-C]Chromene-3,6A(11Ah)-Diol

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Formula C21H22O5
IUPAC Name (6as,11as)-9-methoxy-10-(3-methylbut-2-enyl)-6,11a-dihydrobenzofuro[3,2-c]chromene-3,6a-diol
Molecular Mass 354.396 g·mol−1
Heat of Formation -675.6 ± 16.7 kJ·mol−1
Dipole Moment 2.14 ± 1.08 D
Volume 419.34 Å 3
Surface Area 358.53 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.08 ± eV
Point Group Symmetry C1
Synonyms
  • (6as,11as)-9-methoxy-10-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzoxolo[3,2-c]chromene-3,6a-diol
  • (6as,11as)-9-methoxy-10-(3-methylbut-2-enyl)-6,11a-dihydrobenzofurano[3,2-c]chromene-3,6a-diol
  • 6h-benzofuro(3,2-c)(1)benzopyran-3,6a(11ah)-diol, 9-methoxy-10-(3-methyl-2-butenyl)-, (6as-cis)-
  • cristacarpin
CAS Number(s)
  • 74515-47-2
InChIKey ZHPYEBFYLDGZKF-LEWJYISDSA-N
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