(1Ar,5Ar,5Bs,7As,8R,10As,10Br,10Cs)-5A,7A-Dimethyl-4,5,5A,5B,6,7,7A,9,10,10A,10B,10C-Dodecahydro-3'H-Spiro[Cyclopenta[1,2]Phenanthro[9,10-B]Oxirene-8,2'-Furan]-3,5'(1Ah,4'H)-Dione

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Formula C22H28O4
IUPAC Name (1ar,5ar,5bs,7as,8r,10as,10br,10cs)-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,9,10,10a,10b,10c-dodecahydro-3'h-spiro[cyclopenta[1,2]phenanthro[9,10-b]oxirene-8,2'-furan]-3,5'(1ah,4'h)-dione
Molecular Mass 356.455 g·mol−1
Heat of Formation -632.9 ± 16.7 kJ·mol−1
Dipole Moment 1.47 ± 1.08 D
Volume 427.55 Å 3
Surface Area 335.76 Å 2
HOMO Energy -10.05 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
Synonyms
  • 6,7-epoxycanrenone
  • 6-alpha,7-alpha-epoxy-17-alpha-hydroxy-3-oxopregn-4-ene-21-carboxylic acid gamma-lactone
  • 6-alpha,7-alpha-epoxy-canrenone
  • pregn-4-ene-21-carboxylic acid, 6,7-epoxy-17-hydroxy-3-oxo, gamma-lactone, (6-alpha,7-alpha,17-alpha)-
  • pregn-4-ene-21-carboxylic acid, 6,7-epoxy-17-hydroxy-3-oxo-,gamma-lactone, (6alpha,7alpha,17alpha)-
CAS Number(s)
  • 114577-01-4
InChIKey FSIPNQUJIAOSNJ-VRQGMAQHSA-N
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