K-Dr

Molecule SVG Image

Properties Simple | Detailed

Formula C27H44O3
IUPAC Name (3r,6r)-6-[(1r,3as,4e,7ar)-4-[(2z)-2-[(5r)-5-hydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2-methyl-heptane-2,3-diol
Molecular Mass 416.636 g·mol−1
Heat of Formation -759.8 ± 16.7 kJ·mol−1
Dipole Moment 2.68 ± 1.08 D
Volume 561.57 Å 3
Surface Area 453.12 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy 0.17 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,6r)-6-[(1r,3as,4e,7ar)-4-[(2z)-2-[(5r)-5-hydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2-methyl-heptane-2,3-diol
  • (3r,6r)-6-[(1r,3as,4e,7ar)-4-[(2z)-2-[(5r)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2-methylheptane-2,3-diol
  • (3r,6r)-6-[(1r,3as,4e,7ar)-4-[(2z)-2-[(5r)-5-hydroxy-2-methylidene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2-methyl-heptane-2,3-diol
  • (3r,6r)-6-[(1r,3as,4e,7ar)-4-[(2z)-2-[(5r)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2-methylheptane-2,3-diol
InChIKey FCKJYANJHNLEEP-HBOSYIFOSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O