Cucurbitaxanthin A

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Properties Simple | Detailed

Formula C40H46O3
IUPAC Name (1s,3r,4r)-4-[(1e,3e,5e)-14-[2-[(e)-2-[(4r)-4-hydroxy-2,6,6-trimethyl-cyclohexen-1-yl]vinyl]cyclopropen-1-yl]-3-methyl-7,12-di(methylene)tetradeca-1,3,5-trien-8,10,13-triynyl]-3,5,5-trimethyl-7-oxabicyclo[2.2.1]heptan-3-ol
Molecular Mass 574.791 g·mol−1
Heat of Formation -360.2 ± 16.7 kJ·mol−1
Dipole Moment 3.40 ± 1.08 D
Volume 815.05 Å 3
Surface Area 679.7 Å 2
HOMO Energy -7.86 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r,4s)-1-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-18-[(4r)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-2-ol
  • (1r,2r,4s)-1-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-18-[(4r)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-2-ol
InChIKey LMIFPRVTIOZTJN-SZYTUFQFSA-N
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