(3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-Sulfanyl-2-Heptanyl]-2,3,4,7,8,9,10,11,12,13,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol

Molecule SVG Image

Properties Simple | Detailed

Formula C26H44OS
IUPAC Name (3s,8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(1r,5r)-1-methyl-5-sulfanyl-hexyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 404.692 g·mol−1
Heat of Formation -477.2 ± 16.7 kJ·mol−1
Dipole Moment 1.51 ± 1.08 D
Volume 545.79 Å 3
Surface Area 427.03 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
InChIKey DYNMAFJBSZLBIF-KMAFUCPFSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O