Astrogorgiadiol

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Properties Simple | Detailed

Formula C27H44O2
IUPAC Name (1r,3as,4s,5r,7ar)-1-[(1r)-1,5-dimethylhexyl]-4-[2-(5-hydroxy-2-methyl-phenyl)ethyl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-5-ol
Molecular Mass 400.637 g·mol−1
Heat of Formation -659.7 ± 16.7 kJ·mol−1
Dipole Moment 1.87 ± 1.08 D
Volume 553.74 Å 3
Surface Area 445.22 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 0.31 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3as,4s,5r,7ar)-1-[(1r)-1,5-dimethylhexyl]-4-[2-(5-hydroxy-2-methyl-phenyl)ethyl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-5-ol
  • (1r,3as,4s,5r,7ar)-1-[(1r)-1,5-dimethylhexyl]-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-5-ol
  • (1r,3as,4s,5r,7ar)-4-[2-(5-hydroxy-2-methyl-phenyl)ethyl]-7a-methyl-1-[(2r)-6-methylheptan-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-5-ol
  • (1r,3as,4s,5r,7ar)-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-1-[(2r)-6-methylheptan-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-5-ol
  • (8s,9r)-9,10-seco-1,3,5(10)-cholestatriene-3,9-diol
  • astrogorgiadiol b
  • lmst03020242
InChIKey RAIDHOLJIAWOMY-DKQGWWAXSA-N
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