(2Z)-2-{(2R,3S,4S)-4-Hydroxy-2-(3-Hydroxypropyl)-3,4-Dimethyl-3-[(3E,7E)-4,8,12-Trimethyl-3,7,11-Tridecatrien-1-Yl]Cyclohexylidene}Propanal

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Properties Simple | Detailed

Formula C30H50O3
IUPAC Name (2z)-2-[(2r,3s,4s)-4-hydroxy-2-(3-hydroxypropyl)-3,4-dimethyl-3-[(3e,7e)-4,8,12-trimethyltrideca-3,7,11-trienyl]cyclohexylidene]propanal
Molecular Mass 458.716 g·mol−1
Heat of Formation -744.0 ± 16.7 kJ·mol−1
Dipole Moment 5.78 ± 1.08 D
Volume 654.19 Å 3
Surface Area 525.13 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy 3.23 ± eV
Point Group Symmetry C1
Synonyms
  • (2z)-2-[(2r,3s,4s)-4-hydroxy-2-(3-hydroxypropyl)-3,4-dimethyl-3-[(3e,7e)-4,8,12-trimethyltrideca-3,7,11-trienyl]cyclohexylidene]propanal
  • (2z)-2-[(2r,3s,4s)-4-hydroxy-2-(3-hydroxypropyl)-3,4-dimethyl-3-[(3e,7e)-4,8,12-trimethyltrideca-3,7,11-trienyl]cyclohexylidene]propionaldehyde
  • iridal
InChIKey KWHXMASXPBOSRE-JKIIOOKNSA-N
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