(4R,9β,16Alpha,23E)-16,20,25-Trihydroxy-9,10,14-Trimethyl-4,9-Cyclo-9,10-Secocholesta-5,23-Diene-1,11,22-Trione

Molecule SVG Image

Properties Simple | Detailed

Formula C30H44O6
IUPAC Name (8s,9r,10r,13r,14s,16r,17r)-17-[(e,1r)-1,5-dihydroxy-1,5-dimethyl-2-oxo-hex-3-enyl]-16-hydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1h-cyclopenta[a]phenanthrene-3,11-dione
Molecular Mass 500.667 g·mol−1
Heat of Formation -1221.5 ± 16.7 kJ·mol−1
Dipole Moment 4.08 ± 1.08 D
Volume 623.29 Å 3
Surface Area 465.47 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy 2.65 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9r,10r,13r,14s,16r,17r)-17-[(e,1r)-1,5-dihydroxy-1,5-dimethyl-2-oxo-hex-3-enyl]-16-hydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1h-cyclopenta[a]phenanthrene-3,11-dione
  • (8s,9r,10r,13r,14s,16r,17r)-17-[(e,1r)-1,5-dihydroxy-1,5-dimethyl-2-oxohex-3-enyl]-16-hydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1h-cyclopenta[a]phenanthrene-3,11-dione
  • (8s,9r,10r,13r,14s,16r,17r)-17-[(e,1r)-1,5-dihydroxy-2-keto-1,5-dimethyl-hex-3-enyl]-16-hydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1h-cyclopenta[a]phenanthrene-3,11-quinone
  • (8s,9r,10r,13r,14s,16r,17r)-17-[(e,2r)-2,6-dihydroxy-6-methyl-3-oxo-hept-4-en-2-yl]-16-hydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1h-cyclopenta[a]phenanthrene-3,11-dione
InChIKey KMFVVUWIGLRRLZ-NTLQYXAJSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O