Conicasterol

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Formula C29H48O
IUPAC Name (3s,5r,9r,10r,13r,17r)-10,13-dimethyl-4-methylene-17-[(1r,4r)-1,4,5-trimethylhexyl]-1,2,3,5,6,7,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
Molecular Mass 412.691 g·mol−1
Heat of Formation -478.0 ± 16.7 kJ·mol−1
Dipole Moment 2.32 ± 1.08 D
Volume 578.54 Å 3
Surface Area 445.97 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy 1.36 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5r,9r,10r,13r,17r)-10,13-dimethyl-4-methylene-17-[(1r,4r)-1,4,5-trimethylhexyl]-1,2,3,5,6,7,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
  • (3s,5r,9r,10r,13r,17r)-17-[(2r,5r)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-4-methylidene-1,2,3,5,6,7,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
InChIKey BDIHZBORJCSTHA-TYRJJJPYSA-N
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