(3S,3'S,5R,5'R,6R)-3',5-Dihydroxy-5,6-Dihydro-3,6-Epoxy-β,Kappa-Caroten-6'-One

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Properties Simple | Detailed

Formula C40H56O4
IUPAC Name 2-[2-(2-ethynylcyclopropen-1-yl)ethynyl]-3,5-dimethyl-furan; (2-ethynyl-3-methylene-cyclobutylidene)methanone; 2-(2-methylcyclopropen-1-yl)ethynol; prop-1-yn-1-ol
Molecular Mass 600.870 g·mol−1
Heat of Formation -541.4 ± 16.7 kJ·mol−1
Dipole Moment 3.91 ± 1.08 D
Volume 821.71 Å 3
Surface Area 679.53 Å 2
HOMO Energy -7.98 ± 0.55 eV
LUMO Energy 2.14 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4e,6e,8e,10e,12e,14e,16e,18e)-1-[(1r,4s)-4-hydroxy-1,2,2-trimethyl-cyclopentyl]-19-[(1r,2r,4s)-2-hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-1-yl]-4,8,13,17-tetramethyl-nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
  • (2e,4e,6e,8e,10e,12e,14e,16e,18e)-1-[(1r,4s)-4-hydroxy-1,2,2-trimethylcyclopentyl]-19-[(1r,2r,4s)-2-hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-1-yl]-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
InChIKey TWTPPPZIWNGQCQ-YNKJSWFTSA-N
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