(1R,3S,5Z)-5-{(2E)-2-[(1R,3As,7Ar)-1-(2,10-Dihydroxy-2,10-Dimethyl-6-Undecanyl)-7A-Methyloctahydro-4H-Inden-4-Ylidene]Ethylidene}-4-Methylene-1,3-Cyclohexanediol

Molecule SVG Image

Properties Simple | Detailed

Formula C32H54O4
IUPAC Name (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[5-hydroxy-1-(4-hydroxy-4-methyl-pentyl)-5-methyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
Molecular Mass 502.769 g·mol−1
Heat of Formation -1058.2 ± 16.7 kJ·mol−1
Dipole Moment 5.33 ± 1.08 D
Volume 690.38 Å 3
Surface Area 529.32 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy 3.04 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-(2,10-dihydroxy-2,10-dimethyl-undecan-6-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
  • (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-(2,10-dihydroxy-2,10-dimethylundecan-6-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
  • (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[5-hydroxy-1-(4-hydroxy-4-methyl-pentyl)-5-methyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
  • (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-methylhexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
InChIKey WTQXZYVWLNPNEX-LKUPKUSPSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O