(3S,3'S)-3,3'-Dihydroxy-15,15'-Didehydro-β,β-Carotene-4,4'-Dione

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Properties Simple | Detailed

Formula C40H50O4
IUPAC Name 5-ethynyl-3-methylene-4-[(2-methylenecyclopropylidene)methylene]cyclohexane-1,2-dione; 3,4,6-trimethylene-5-[2-(2-methylenecyclopropyl)ethynyl]cyclohexane-1,2-dione
Molecular Mass 594.823 g·mol−1
Heat of Formation -277.3 ± 16.7 kJ·mol−1
Dipole Moment 2.50 ± 1.08 D
Volume 809.79 Å 3
Surface Area 684.73 Å 2
HOMO Energy -8.22 ± 0.55 eV
LUMO Energy 2.06 ± eV
Point Group Symmetry C1
Synonyms
  • (6s)-6-hydroxy-3-[(1e,3e,5e,7e,11e,13e,15e,17e)-18-[(4s)-4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexenyl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,11,13,15,17-octaen-9-ynyl]-2,4,4-trimethyl-cyclohex-2-en-1-one
  • (6s)-6-hydroxy-3-[(1e,3e,5e,7e,11e,13e,15e,17e)-18-[(4s)-4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,11,13,15,17-octaen-9-ynyl]-2,4,4-trimethyl-1-cyclohex-2-enone
  • (6s)-6-hydroxy-3-[(1e,3e,5e,7e,11e,13e,15e,17e)-18-[(4s)-4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,11,13,15,17-octaen-9-ynyl]-2,4,4-trimethylcyclohex-2-en-1-one
  • (6s)-6-hydroxy-3-[(1e,3e,5e,7e,11e,13e,15e,17e)-18-[(4s)-4-hydroxy-3-keto-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,11,13,15,17-octaen-9-ynyl]-2,4,4-trimethyl-cyclohex-2-en-1-one
InChIKey PPDNKRVPGXCVFY-MPBIVHPJSA-N
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