(2Z)-2-[(2R,3S,4S)-4-Hydroxy-3-(Hydroxymethyl)-2-(3-Hydroxypropyl)-4-Methyl-3-{(3E,5E)-4-Methyl-6-[(5S)-2,5,6,6-Tetramethyl-2-Cyclohexen-1-Yl]-3,5-Hexadien-1-Yl}Cyclohexylidene]Propanal

Molecule SVG Image

Properties Simple | Detailed

Formula C31H50O4
IUPAC Name (2z)-2-[(2r,3s,4s)-4-hydroxy-3-(hydroxymethyl)-2-(3-hydroxypropyl)-4-methyl-3-[(3e,5e)-4-methyl-6-[(1r,5s)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]hexa-3,5-dienyl]cyclohexylidene]propanal
Molecular Mass 486.726 g·mol−1
Heat of Formation -869.7 ± 16.7 kJ·mol−1
Dipole Moment 5.27 ± 1.08 D
Volume 664.08 Å 3
Surface Area 511.51 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-(6r,10s,11s,18r,22s)-26-hydroxy-22-alpha-methylcycloirid-16-enal
  • (2z)-2-[(2r,3s,4s)-4-hydroxy-2-(3-hydroxypropyl)-4-methyl-3-methylol-3-[(3e,5e)-4-methyl-6-[(1r,5s)-2,5,6,6-tetramethyl-1-cyclohex-2-enyl]hexa-3,5-dienyl]cyclohexylidene]propionaldehyde
  • (2z)-2-[(2r,3s,4s)-4-hydroxy-3-(hydroxymethyl)-2-(3-hydroxypropyl)-4-methyl-3-[(3e,5e)-4-methyl-6-[(1r,5s)-2,5,6,6-tetramethyl-1-cyclohex-2-enyl]hexa-3,5-dienyl]cyclohexylidene]propanal
InChIKey CUWJDZXEDIUEEW-HLFHJSLSSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image