Methyl (5β,13Alpha)-14-Hydroxy-1,7,17-Trioxoandrost-8-En-19-Oate

Molecule SVG Image

Properties Simple | Detailed

Formula C20H24O6
IUPAC Name methyl (5s,10r,13r,14s)-14-hydroxy-13-methyl-1,7,17-trioxo-3,4,5,6,11,12,15,16-octahydro-2h-cyclopenta[a]phenanthrene-10-carboxylate
Molecular Mass 360.401 g·mol−1
Heat of Formation -1098.0 ± 16.7 kJ·mol−1
Dipole Moment 6.16 ± 1.08 D
Volume 416.84 Å 3
Surface Area 322.01 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • (5s,10r,13r,14s)-14-hydroxy-1,7,17-triketo-13-methyl-3,4,5,6,11,12,15,16-octahydro-2h-cyclopenta[a]phenanthrene-10-carboxylic acid methyl ester
  • (5s,10r,13r,14s)-14-hydroxy-13-methyl-1,7,17-trioxo-3,4,5,6,11,12,15,16-octahydro-2h-cyclopenta[a]phenanthrene-10-carboxylic acid methyl ester
  • androst-8-en-19-oic acid, 14-hydroxy-1,7,17-trioxo-, methyl ester, (5beta,13alpha)-(+-)-
  • methyl (5s,10r,13r,14s)-14-hydroxy-13-methyl-1,7,17-trioxo-3,4,5,6,11,12,15,16-octahydro-2h-cyclopenta[a]phenanthrene-10-carboxylate
  • methyl 14-hydroxy-1,7,17-trioxoandrost-8-ene-19-oate
  • mhtaeo
CAS Number(s)
  • 130993-62-3
InChIKey GYYNKXHCVKWBDR-YRZPBDNOSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O