Roxibolone

Molecule SVG Image

Properties Simple | Detailed

Formula C21H28O5
IUPAC Name (8s,9s,10r,11s,13s,14s,17s)-11,17-dihydroxy-10,13,17-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-2-carboxylic acid
Molecular Mass 360.444 g·mol−1
Heat of Formation -948.3 ± 16.7 kJ·mol−1
Dipole Moment 6.82 ± 1.08 D
Volume 437.2 Å 3
Surface Area 340.76 Å 2
HOMO Energy -10.11 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10r,11s,13s,14s,17s)-11,17-dihydroxy-10,13,17-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-2-carboxylic acid
  • (8s,9s,10r,11s,13s,14s,17s)-11,17-dihydroxy-3-keto-10,13,17-trimethyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-2-carboxylic acid
  • 11beta,17beta-dihydroxy-17-methyl-3-oxoandrosta-1,4-dien-2carbonsaeure
  • 11beta,17beta-dihydroxy-17-methyl-3-oxoandrosta-1,4-diene-2-carboxylic acid
CAS Number(s)
  • 60023-92-9
InChIKey JOFBZBDWOWPUMO-QARKFJNLSA-N
QR Code Generate QR Code
Links PubChem Wikipedia ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O