β,Psi-Caroten-4-One, 3',4'-Didehydro-1',2'-Dihydro-1'-Hydroxy-

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Properties Simple | Detailed

Formula C30H22O2
IUPAC Name 4-ethynyl-5-[2-[2-[2-(2-methylcyclopropen-1-yl)ethynyl]cyclopropen-1-yl]ethynyl]-6-methylene-cyclohexa-2,4-dien-1-one; 2-methyl-3-[3-(2-methylcyclopropen-1-yl)prop-1-ynyl]oxirene
Molecular Mass 414.494 g·mol−1
Heat of Formation -101.1 ± 16.7 kJ·mol−1
Dipole Moment 5.25 ± 1.08 D
Volume 811.22 Å 3
Surface Area 705.01 Å 2
HOMO Energy -7.91 ± 0.55 eV
LUMO Energy 2.27 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(1e,3e,5e,7e,9e,11e,13e,15e,17e,19e,21e)-24-hydroxy-3,7,12,16,20,24-hexamethyl-pentacosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl]-2,4,4-trimethyl-cyclohex-2-en-1-one
  • 3-[(1e,3e,5e,7e,9e,11e,13e,15e,17e,19e,21e)-24-hydroxy-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl]-2,4,4-trimethyl-1-cyclohex-2-enone
  • 3-[(1e,3e,5e,7e,9e,11e,13e,15e,17e,19e,21e)-24-hydroxy-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl]-2,4,4-trimethylcyclohex-2-en-1-one
  • 4-keto-1',2'-dihydro-1'-hydroxytorulene
  • deoxyflexixanthin
  • deoxyflexixanthin/ keto-myxocoxanthin
  • lmpr01070161
CAS Number(s)
  • 26056-69-9
InChIKey GCDPDLHIDNBTJP-BOBWQXBNSA-N
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