(5α)-Androsta-2,16-Diene-3,17-Diyl Diacetate

Molecule SVG Image

Properties Simple | Detailed

Formula C23H32O4
IUPAC Name [(5s,8r,9s,10s,13s,14s)-17-acetoxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15-decahydro-1h-cyclopenta[a]phenanthren-3-yl] acetate
Molecular Mass 372.498 g·mol−1
Heat of Formation -782.3 ± 16.7 kJ·mol−1
Dipole Moment 1.62 ± 1.08 D
Volume 469.07 Å 3
Surface Area 380.07 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy 0.82 ± eV
Point Group Symmetry C1
Synonyms
  • [(5s,8r,9s,10s,13s,14s)-3-acetoxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15-decahydro-1h-cyclopenta[a]phenanthren-17-yl] acetate
  • [(5s,8r,9s,10s,13s,14s)-3-acetyloxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15-decahydro-1h-cyclopenta[a]phenanthren-17-yl] acetate
  • [(5s,8r,9s,10s,13s,14s)-3-acetyloxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15-decahydro-1h-cyclopenta[a]phenanthren-17-yl] ethanoate
  • acetic acid [(5s,8r,9s,10s,13s,14s)-3-acetoxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15-decahydro-1h-cyclopenta[a]phenanthren-17-yl] ester
  • androsta-2,16-diene-3,17-diol, diacetate, (5alpha)-
  • delta-(2,16)-5alpha-androstadiene-3,17-diol-3,17-diacetate
  • delta-(2,16)-androstadiene-3,17-diol-3,17-diacetate
  • nb 06
CAS Number(s)
  • 28312-74-5
InChIKey ULIMRORAELVWLW-IRWVZKGRSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O