4,4-Dimethyl-5α-Cholesta-8,14-Diene-3Beta-Ol

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Properties Simple | Detailed

Formula C29H48O
IUPAC Name (3s,5r,10s,13r,17r)-17-[(1r)-1,5-dimethylhexyl]-4,4,10,13-tetramethyl-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-ol
Molecular Mass 412.691 g·mol−1
Heat of Formation -482.4 ± 16.7 kJ·mol−1
Dipole Moment 1.45 ± 1.08 D
Volume 574.31 Å 3
Surface Area 442.8 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy 0.57 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5r,10s,13r,17r)-17-[(1r)-1,5-dimethylhexyl]-4,4,10,13-tetramethyl-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-ol
  • (3s,5r,10s,13r,17r)-4,4,10,13-tetramethyl-17-[(2r)-6-methylheptan-2-yl]-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-ol
  • 4,4-dcdo
  • 4,4-dimethylcholesta-8,14-dien-3-ol
  • cholesta-8,14-dien-3-ol, 4,4-dimethyl-, (3beta,5alpha)-
CAS Number(s)
  • 19456-83-8
InChIKey OGQJUYXFIOFTMA-PBJLWWPKSA-N
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