(8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-Methyl-2-Heptanyl]-1,2,4,7,8,9,10,11,12,13,14,15,16,17-Tetradecahydrospiro[Cyclopenta[A]Phenanthrene-3,2'-[1,3]Dioxolane]

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Properties Simple | Detailed

Formula C29H48O2
IUPAC Name (8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-spiro[1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]
Molecular Mass 428.690 g·mol−1
Heat of Formation -657.2 ± 16.7 kJ·mol−1
Dipole Moment 0.86 ± 1.08 D
Volume 585.75 Å 3
Surface Area 454.96 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy 1.42 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]spiro[1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]
  • (8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-spiro[1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]
  • (8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethylspiro[1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]
  • 3,3-ethylenedioxycholest-5-ene
  • cholest-5-en-3-one, cyclic 1,2-ethanediyl acetal
CAS Number(s)
  • 3496-88-6
InChIKey GPAYFLROALHUFV-OKPKYCIKSA-N
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