(24S,25R)-24,25,26-Trihydroxylanosta-7,9(11)-Dien-3-One

Molecule SVG Image

Properties Simple | Detailed

Formula C30H48O4
IUPAC Name (5r,10s,13r,14r,17r)-4,4,10,13,14-pentamethyl-17-[(1r,4s,5r)-4,5,6-trihydroxy-1,5-dimethyl-hexyl]-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 472.700 g·mol−1
Heat of Formation -974.4 ± 16.7 kJ·mol−1
Dipole Moment 4.20 ± 1.08 D
Volume 619.24 Å 3
Surface Area 471.02 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 3.36 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,10s,13r,14r,17r)-4,4,10,13,14-pentamethyl-17-[(1r,4s,5r)-4,5,6-trihydroxy-1,5-dimethyl-hexyl]-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
  • (5r,10s,13r,14r,17r)-4,4,10,13,14-pentamethyl-17-[(1r,4s,5r)-4,5,6-trihydroxy-1,5-dimethylhexyl]-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
  • (5r,10s,13r,14r,17r)-4,4,10,13,14-pentamethyl-17-[(2r,5s,6r)-5,6,7-trihydroxy-6-methyl-heptan-2-yl]-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
InChIKey KASALCUNLBTNAA-LIPCCPSCSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O