Methyl (5α)-4,4,14-Trimethyl-3,7,11,15-Tetraoxochol-8-En-24-Oate

Molecule SVG Image

Properties Simple | Detailed

Formula C28H38O6
IUPAC Name methyl (4r)-4-[(5r,10s,13r,14r,17r)-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoate
Molecular Mass 470.598 g·mol−1
Heat of Formation -1156.5 ± 16.7 kJ·mol−1
Dipole Moment 4.94 ± 1.08 D
Volume 576.55 Å 3
Surface Area 424.78 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy 2.18 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-4-[(5r,10s,13r,14r,17r)-3,7,11,15-tetraketo-4,4,10,13,14-pentamethyl-2,5,6,12,16,17-hexahydro-1h-cyclopenta[a]phenanthren-17-yl]valeric acid methyl ester
  • (4r)-4-[(5r,10s,13r,14r,17r)-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester
  • methyl (4r)-4-[(5r,10s,13r,14r,17r)-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoate
InChIKey ZXYSCJISDAKHPX-IRFVERNZSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O