(8R,9S,13S,14S)-3-(Cyclopentyloxy)-17-(1,3-Hexadiyn-1-Yl)-13-Methyl-7,8,9,11,12,13,14,15,16,17-Decahydro-6H-Cyclopenta[A]Phenanthren-17-Ol

Molecule SVG Image

Properties Simple | Detailed

Formula C29H36O2
IUPAC Name (8r,9s,13s,14s,17s)-3-(cyclopentoxy)-17-hexa-1,3-diynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-ol
Molecular Mass 416.595 g·mol−1
Heat of Formation -45.1 ± 16.7 kJ·mol−1
Dipole Moment 2.69 ± 1.08 D
Volume 501.46 Å 3
Surface Area 414.49 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy 0.27 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s,17s)-3-(cyclopentoxy)-17-hexa-1,3-diynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-ol
  • (8r,9s,13s,14s,17s)-3-cyclopentyloxy-17-hexa-1,3-diynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-ol
InChIKey QGNOCXLHXSBOND-PNHLWVRCSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O