(4Bs,6As,7S,8Ar,9Ar,9Br)-2-Methoxy-6A-Methyl-4B,6,6A,7,8,8A,9,9B,10,11-Decahydro-5H-Cyclopropa[1,5]Cyclopenta[1,2-A]Phenanthren-7-Ol

Molecule SVG Image

Properties Simple | Detailed

Formula C20H26O2
IUPAC Name (4bs,6as,7s,8ar,9ar,9br)-2-methoxy-6a-methyl-4b,6,6a,7,8,8a,9,9b,10,11-decahydro-5h-cyclopropa[1,5]cyclopenta[1,2-a]phenanthren-7-ol
Molecular Mass 298.419 g·mol−1
Heat of Formation -288.1 ± 16.7 kJ·mol−1
Dipole Moment 2.07 ± 1.08 D
Volume 374.26 Å 3
Surface Area 311.49 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy 0.36 ± eV
Point Group Symmetry C1
Synonyms
  • 3'h-cycloprop(14,15)estra-1,3,5(10)-trien-17-beta-ol, 3-methoxy-, (14-beta,15-beta)-
  • 3-methoxy-14-beta,15-beta-methylen-estra-1,3,5(10)-trien-17-beta-ol
CAS Number(s)
  • 68247-73-4
InChIKey KWJWXRZFIVSLKX-MLODVTASSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O