Asoprisnil

Molecule SVG Image

Properties Simple | Detailed

Formula C28H35NO4
IUPAC Name (1e)-4-[(8s,11r,13s,14s,17s)-17-methoxy-17-(methoxymethyl)-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]benzaldehyde oxime
Molecular Mass 449.582 g·mol−1
Heat of Formation -422.6 ± 16.7 kJ·mol−1
Dipole Moment 5.78 ± 1.08 D
Volume 559.1 Å 3
Surface Area 442.14 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,11r,13s,14s,17s)-11-[4-[(e)-hydroxyiminomethyl]phenyl]-17-methoxy-17-(methoxymethyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
  • 11beta-(4-((e)-(hydroxyimino)methyl)phenyl)-17beta-methoxy-17-(methoxymethyl)estra-4,9-dien-3-one
  • 4-[(8s,11r,13s,14s,17s)-17-methoxy-17-(methoxymethyl)-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]benzaldehyde oxime
  • 4-[(8s,11r,13s,14s,17s)-3-keto-17-methoxy-17-(methoxymethyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]benzaldoxime
  • asoprisnil (usan)
  • benzaldehyde, 4-((11beta,17beta)-17-methoxy-17-(methoxymethyl)-3-oxoestra-4,9-dien-11-yl)-, 1-oxime, (c(e))-
  • d02996
  • j-867
  • j867
CAS Number(s)
  • 199396-76-4
InChIKey GJMNAFGEUJBOCE-MEQIQULJSA-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 N