(7S)-2-Hydroxy-7-[(2-Hydroxybenzyl)(Methyl)Amino]-1,3,10-Trimethoxy-6,7-Dihydrobenzo[A]Heptalen-9(5H)-One

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Properties Simple | Detailed

Formula C27H29NO6
IUPAC Name (7s)-2-hydroxy-7-[(2-hydroxyphenyl)methyl-methyl-amino]-1,3,10-trimethoxy-6,7-dihydro-5h-benzo[a]heptalen-9-one
Molecular Mass 463.522 g·mol−1
Heat of Formation -596.7 ± 16.7 kJ·mol−1
Dipole Moment 4.05 ± 1.08 D
Volume 553.62 Å 3
Surface Area 444.7 Å 2
HOMO Energy -8.24 ± 0.55 eV
LUMO Energy 2.58 ± eV
Point Group Symmetry C1
Synonyms
  • (7s)-2-hydroxy-7-[(2-hydroxybenzyl)-methyl-amino]-1,3,10-trimethoxy-6,7-dihydro-5h-benzo[g]heptalen-9-one
  • (7s)-2-hydroxy-7-[(2-hydroxyphenyl)methyl-methyl-amino]-1,3,10-trimethoxy-6,7-dihydro-5h-benzo[g]heptalen-9-one
  • (7s)-2-hydroxy-7-[(2-hydroxyphenyl)methyl-methylamino]-1,3,10-trimethoxy-6,7-dihydro-5h-benzo[g]heptalen-9-one
  • (s)-6,7-dihydro-2-hydroxy-7-(((2-hydroxyphenyl)methyl)methylamino)-1,3,10-trimethoxybenzo(a)heptalen-9(5h)-one
  • 2-demethylspeciosine
  • benzo(a)heptalen-9(5h)-one, 6,7-dihydro-2-hydroxy-7-(((2-hydroxyphenyl)methyl)methylamino)-1,3,10-trimethoxy-, (s)-
  • speciocholchine
CAS Number(s)
  • 111509-13-8
InChIKey GIMKKBXYBJRFFI-FQEVSTJZSA-N
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