(4As,4Bs,6As,7S,7Ar,8As,9As,9Br,11As)-7-Hydroxy-4A,6A,7-Trimethyloctadecahydro-2H-Cyclopropa[B]Chrysen-2-One

Molecule SVG Image

Properties Simple | Detailed

Formula C22H34O2
IUPAC Name (4as,4bs,6as,7s,7ar,8as,9as,9br,11as)-7-hydroxy-4a,6a,7-trimethyloctadecahydro-2h-cyclopropa[b]chrysen-2-one
Molecular Mass 330.504 g·mol−1
Heat of Formation -518.2 ± 16.7 kJ·mol−1
Dipole Moment 3.56 ± 1.08 D
Volume 428.17 Å 3
Surface Area 329.26 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy 0.99 ± eV
Point Group Symmetry C1
Synonyms
  • 18-beta-hydroxy-18-alpha-methyl-16-alpha,17-alpha-methylene-d-homo-5-alpha-androstane-3-one
  • 18-hydroxy-18-methyl-16,17-methylene-d-homoandrostane-3-one
  • 2h-cyclopropa(a)chrysene, 3'h-cyclopropa(16,17)-d-homoandrost-16-en-3-one deriv. (9ci)
  • 3'h-cyclopropa(16,17)-d-homoandrost-16-en-3-one, 16,17-dihydro-17a-hydroxy-17a-methyl-, (5-alpha,16-beta,17-beta,17a-beta)-
  • d-homo-s
CAS Number(s)
  • 83606-93-3
InChIKey KNYNTZUVKJQNRG-FOPSRJGKSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O