(2S,2'S)-2,2'-Bis(3-Hydroxy-3-Methylbutyl)-3,4,3',4'-Tetradehydro-1,2,1',2'-Tetrahydro-Y,Y-Carotene-1,1'-Diol

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Formula C50H76O4
IUPAC Name (5s,6e,8e,10e,12e,14e,16e,18e,20e,22e,24e,26e,28e,30e,32s)-5,32-bis(1-hydroxy-1-methyl-ethyl)-2,8,12,16,21,25,29,35-octamethyl-hexatriaconta-6,8,10,12,14,16,18,20,22,24,26,28,30-tridecaene-2,35-diol
Molecular Mass 741.136 g·mol−1
Heat of Formation -690.7 ± 16.7 kJ·mol−1
Dipole Moment 2.67 ± 1.08 D
Volume 1104.26 Å 3
Surface Area 922.16 Å 2
HOMO Energy -7.72 ± 0.55 eV
LUMO Energy 2.14 ± eV
Point Group Symmetry C1
Synonyms
  • (5s,6e,8e,10e,12e,14e,16e,18e,20e,22e,24e,26e,28e,30e,32s)-5,32-bis(1-hydroxy-1-methyl-ethyl)-2,8,12,16,21,25,29,35-octamethyl-hexatriaconta-6,8,10,12,14,16,18,20,22,24,26,28,30-tridecaene-2,35-diol
  • (5s,6e,8e,10e,12e,14e,16e,18e,20e,22e,24e,26e,28e,30e,32s)-5,32-bis(1-hydroxy-1-methylethyl)-2,8,12,16,21,25,29,35-octamethylhexatriaconta-6,8,10,12,14,16,18,20,22,24,26,28,30-tridecaene-2,35-diol
  • (5s,6e,8e,10e,12e,14e,16e,18e,20e,22e,24e,26e,28e,30e,32s)-5,32-bis(2-hydroxypropan-2-yl)-2,8,12,16,21,25,29,35-octamethyl-hexatriaconta-6,8,10,12,14,16,18,20,22,24,26,28,30-tridecaene-2,35-diol
  • (5s,6e,8e,10e,12e,14e,16e,18e,20e,22e,24e,26e,28e,30e,32s)-5,32-bis(2-hydroxypropan-2-yl)-2,8,12,16,21,25,29,35-octamethylhexatriaconta-6,8,10,12,14,16,18,20,22,24,26,28,30-tridecaene-2,35-diol
  • bacterioruberin
  • psi,psi-carotene, 3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-1,1'-dihydroxy-2,2'-bis(3-hydroxy-3-methylbutyl)-, (2s,2's)-
CAS Number(s)
  • 17909-66-9
  • 19882-19-0
  • 29852-81-1
  • 32719-43-0
  • 556-80-9
InChIKey UVCQMCCIAHQDAF-RNTVPSGKSA-N
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