(3R,3'R,6'R)-3,19,3'-Trihydroxy-7,8-Dihydro-B,E-Caroten-8-One

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Properties Simple | Detailed

Formula C40H56O4
IUPAC Name [2-ethynyl-4-methylene-3-[(2-methylenecyclopropylidene)methylene]cyclopentylidene]methanone; 3-ethynyl-4-[(2,3,6-trimethylene-4-oxo-cyclohexylidene)methylene]oxetan-2-one
Molecular Mass 600.870 g·mol−1
Heat of Formation -576.2 ± 16.7 kJ·mol−1
Dipole Moment 3.25 ± 1.08 D
Volume 829.91 Å 3
Surface Area 688.86 Å 2
HOMO Energy -8.19 ± 0.55 eV
LUMO Energy 2.04 ± eV
Point Group Symmetry C1
Synonyms
  • (3e,5e,7e,9e,11e,13e,15e,17e)-18-[(1r,4r)-4-hydroxy-2,6,6-trimethyl-1-cyclohex-2-enyl]-1-[(4r)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-7,12,16-trimethyl-3-methylol-octadeca-3,5,7,9,11,13,15,17-octaen-2-one
  • (3e,5e,7e,9e,11e,13e,15e,17e)-3-(hydroxymethyl)-18-[(1r,4r)-4-hydroxy-2,6,6-trimethyl-1-cyclohex-2-enyl]-1-[(4r)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-7,12,16-trimethyl-octadeca-3,5,7,9,11,13,15,17-octaen-2-one
  • (3e,5e,7e,9e,11e,13e,15e,17e)-3-(hydroxymethyl)-18-[(1r,4r)-4-hydroxy-2,6,6-trimethyl-1-cyclohex-2-enyl]-1-[(4r)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-7,12,16-trimethyloctadeca-3,5,7,9,11,13,15,17-octaen-2-one
  • lmpr01070158
InChIKey SUCKEYMKNGZJHK-ZARIWKGHSA-N
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