(8S,13S,14S,17S)-17-Hydroxy-13-Methyl-17-Propadienyl-1,2,6,7,8,11,12,13,14,15,16,17-Dodecahydro-3H-Cyclopenta[A]Phenanthren-3-One

Molecule SVG Image

Properties Simple | Detailed

Formula C21H26O2
IUPAC Name (8s,13s,14s,17s)-17-hydroxy-13-methyl-17-propa-1,2-dienyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 310.430 g·mol−1
Heat of Formation -220.9 ± 16.7 kJ·mol−1
Dipole Moment 6.93 ± 1.08 D
Volume 395.98 Å 3
Surface Area 327.62 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.31 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,13s,14s,17s)-17-hydroxy-13-methyl-17-propa-1,2-dienyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
  • estra-4,9-dien-3-one, 17-hydroxy-17-(1,2-propadienyl)-, (17beta)-
  • oxolven
  • sa 45249
CAS Number(s)
  • 27806-42-4
InChIKey RBQWEDYROUFTDJ-IVAOSVALSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O