Cinnabaramide A

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Properties Simple | Detailed

Formula C19H29NO4
IUPAC Name (1r,4r,5s)-1-[(s)-[(1s)-cyclohex-2-en-1-yl]-hydroxy-methyl]-4-hexyl-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
Molecular Mass 335.438 g·mol−1
Heat of Formation -749.7 ± 16.7 kJ·mol−1
Dipole Moment 4.06 ± 1.08 D
Volume 423.76 Å 3
Surface Area 362.77 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy 0.49 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,4r,5s)-1-[(s)-[(1s)-1-cyclohex-2-enyl]-hydroxy-methyl]-4-hexyl-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
  • (1r,4r,5s)-1-[(s)-[(1s)-1-cyclohex-2-enyl]-hydroxy-methyl]-4-hexyl-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-quinone
  • (1r,4r,5s)-1-[(s)-[(1s)-1-cyclohex-2-enyl]-hydroxymethyl]-4-hexyl-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
InChIKey KAZLTNBVAYOUNF-MUAMBBPCSA-N
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