Ilicicolin H

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Properties Simple | Detailed

Formula C27H31NO4+
IUPAC Name 3-[(1r,2s,4as,7s,8ar)-4,7-dimethyl-1-[(e)-prop-1-enyl]-1,2,4a,5,6,7,8,8a-octahydronaphthalene-2-carbonyl]-4-hydroxy-5-(4-hydroxyphenyl)pyridin-2-one
Molecular Mass 433.539 g·mol−1
Heat of Formation -609.8 ± 16.7 kJ·mol−1
Dipole Moment 7.14 ± 1.08 D
Volume 538.25 Å 3
Surface Area 426.22 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(1r,2s,4as,7s,8ar)-4,7-dimethyl-1-[(e)-prop-1-enyl]1,2,4a,5,6,7,8,8a-octahydronaphthalene-2-carbonyl]-2-hydroxy-5-(4-hydroxyphenyl)-1h-pyridin-4-one
  • 3-[(1r,2s,4as,7s,8ar)-4,7-dimethyl-1-[(e)-prop-1-enyl]1,2,4a,5,6,7,8,8a-octahydronaphthalene-2-carbonyl]-2-hydroxy-5-(4-hydroxyphenyl)-4-pyridone
  • 3-[[(1r,2s,4as,7s,8ar)-4,7-dimethyl-1-[(e)-prop-1-enyl]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]-oxomethyl]-2-hydroxy-5-(4-hydroxyphenyl)-1h-pyridin-4-one
  • 3-[[(1r,2s,4as,7s,8ar)-4,7-dimethyl-1-[(e)-prop-1-enyl]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]carbonyl]-2-hydroxy-5-(4-hydroxyphenyl)-1h-pyridin-4-one
InChIKey BYVVOONSAAQMKI-RFKCMYLBSA-N
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