(2S,4A'R,4B'S,7'S,8A'S,10A'S)-3'-Hydroxy-4B',7',10A'-Trimethyl-7'-Vinyl-4A',4B',5',6',7',8',8A',9',10',10A'-Decahydro-2'H-Spiro[Oxirane-2,1'-Phenanthren]-2'-One

Molecule SVG Image

Properties Simple | Detailed

Formula C20H28O3
IUPAC Name (1s,4ar,4bs,7s,8as,10as)-3-hydroxy-4b,7,10a-trimethyl-7-vinyl-spiro[5,6,8,8a,9,10-hexahydro-4ah-phenanthrene-1,2'-oxirane]-2-one
Molecular Mass 316.435 g·mol−1
Heat of Formation -385.5 ± 16.7 kJ·mol−1
Dipole Moment 4.74 ± 1.08 D
Volume 398.36 Å 3
Surface Area 311.87 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy 2.70 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,4ar,4bs,7s,8as,10as)-3-hydroxy-4b,7,10a-trimethyl-7-vinyl-2-spiro[5,6,8,8a,9,10-hexahydro-4ah-phenanthrene-1,2'-oxirane]one
  • (1s,4ar,4bs,7s,8as,10as)-3-hydroxy-4b,7,10a-trimethyl-7-vinyl-spiro[5,6,8,8a,9,10-hexahydro-4ah-phenanthrene-1,2'-oxirane]-2-one
  • (1s,4ar,4bs,7s,8as,10as)-7-ethenyl-3-hydroxy-4b,7,10a-trimethyl-spiro[5,6,8,8a,9,10-hexahydro-4ah-phenanthrene-1,2'-oxirane]-2-one
  • (1s,4ar,4bs,7s,8as,10as)-7-ethenyl-3-hydroxy-4b,7,10a-trimethylspiro[5,6,8,8a,9,10-hexahydro-4ah-phenanthrene-1,2'-oxirane]-2-one
InChIKey XJFGTYYCVFPPMQ-JXCDLVPQSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O