(2S,4As,4Bs,8Ar,10As)-2-[(3R,4R)-4,8-Dimethyl-3-Nonanyl]-2,4B-Dimethyltetradecahydrophenanthrene

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Properties Simple | Detailed

Formula C27H50
IUPAC Name (4as,4bs,7s,8as,10ar)-7-[(1r,2r)-1-ethyl-2,6-dimethyl-heptyl]-4a,7-dimethyl-1,2,3,4,4b,5,6,8,8a,9,10,10a-dodecahydrophenanthrene
Molecular Mass 374.686 g·mol−1
Heat of Formation -458.2 ± 16.7 kJ·mol−1
Dipole Moment 0.14 ± 1.08 D
Volume 541.88 Å 3
Surface Area 428.03 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy 3.71 ± eV
Point Group Symmetry C1
Synonyms
  • (4as,4bs,7s,8as,10ar)-7-[(1r,2r)-1-ethyl-2,6-dimethyl-heptyl]-4a,7-dimethyl-1,2,3,4,4b,5,6,8,8a,9,10,10a-dodecahydrophenanthrene
  • (4as,4bs,7s,8as,10ar)-7-[(1r,2r)-1-ethyl-2,6-dimethylheptyl]-4a,7-dimethyl-1,2,3,4,4b,5,6,8,8a,9,10,10a-dodecahydrophenanthrene
  • (4as,4bs,7s,8as,10ar)-7-[(3r,4r)-4,8-dimethylnonan-3-yl]-4a,7-dimethyl-1,2,3,4,4b,5,6,8,8a,9,10,10a-dodecahydrophenanthrene
  • 14,15-secocholestane
  • 5-alpha-14,15-secocholestane
CAS Number(s)
  • 131896-90-7
InChIKey GQMPTTYZVYHRBY-IWQSBPKASA-N
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