(1S,3R,5Z,7E)-1,3,25-Trihydroxy-9,10-Secocholesta-5,7,10-Trien-23-One

Molecule SVG Image

Properties Simple | Detailed

Formula C27H42O4
IUPAC Name (6r)-6-[(1r,3as,4e,7ar)-4-[(2z)-2-[(3s,5r)-3,5-dihydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2-hydroxy-2-methyl-heptan-4-one
Molecular Mass 430.620 g·mol−1
Heat of Formation -896.5 ± 16.7 kJ·mol−1
Dipole Moment 3.89 ± 1.08 D
Volume 568.61 Å 3
Surface Area 450.15 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 2.97 ± eV
Point Group Symmetry C1
Synonyms
  • (6r)-6-[(1r,3as,4e,7ar)-4-[(2z)-2-[(3s,5r)-3,5-dihydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2-hydroxy-2-methyl-heptan-4-one
  • (6r)-6-[(1r,3as,4e,7ar)-4-[(2z)-2-[(3s,5r)-3,5-dihydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2-hydroxy-2-methylheptan-4-one
  • (6r)-6-[(1r,3as,4e,7ar)-4-[(2z)-2-[(3s,5r)-3,5-dihydroxy-2-methylidene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2-hydroxy-2-methyl-heptan-4-one
  • (6r)-6-[(1r,3as,4e,7ar)-4-[(2z)-2-[(3s,5r)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2-hydroxy-2-methylheptan-4-one
InChIKey QBJVXMITWJPQNF-LQPBFCBKSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O