6,11-Dihydroxy-3,3-Dimethyl-5-(3-Methyl-2-Buten-1-Yl)-3,12-Dihydro-7H-Pyrano[2,3-C]Acridin-7-One

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Properties Simple | Detailed

Formula C23H36NO4+
IUPAC Name 6,11-dihydroxy-3,3-dimethyl-5-(3-methylbut-2-enyl)-8,9,10,12-tetrahydropyrano[2,3-c]acridine-4a,5,6,6a,7a,8,9,10,11,11a,12a,12b-dodecaid-7-one
Molecular Mass 390.536 g·mol−1
Heat of Formation -564.1 ± 16.7 kJ·mol−1
Dipole Moment 6.34 ± 1.08 D
Volume 442.9 Å 3
Surface Area 369.57 Å 2
HOMO Energy -8.26 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
Synonyms
  • 6,11-dihydroxy-3,3-dimethyl-5-(3-methylbut-2-enyl)-12h-pyrano[6,5-c]acridin-7-one
  • 7h-pyrano(2,3-c)acridin-7-one, 3,12-dihydro-6,11-dihydroxy-3,3-dimethyl-5-(3-methyl-2-butenyl)-
  • atalaphillinine
CAS Number(s)
  • 56296-87-8
InChIKey QJMYUQUOPGKBEZ-UHFFFAOYSA-N
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