(3S,3As,7R,8As,8Bs)-6-(3-Hydroxypropyl)-7-Isopropenyl-3,3A-Dimethyl-1,2,3,3A,4,5,7,8,8A,8B-Decahydro-As-Indacen-3-Ol

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Properties Simple | Detailed

Formula C20H32O2
IUPAC Name (3s,3as,7r,8as,8bs)-6-(3-hydroxypropyl)-7-isopropenyl-3,3a-dimethyl-1,2,4,5,7,8,8a,8b-octahydro-as-indacen-3-ol
Molecular Mass 304.467 g·mol−1
Heat of Formation -504.4 ± 16.7 kJ·mol−1
Dipole Moment 0.81 ± 1.08 D
Volume 417.92 Å 3
Surface Area 337.36 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 1.10 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,3as,7r,8as,8bs)-6-(3-hydroxypropyl)-3,3a-dimethyl-7-prop-1-en-2-yl-1,2,4,5,7,8,8a,8b-octahydro-as-indacen-3-ol
  • (3s,3as,7r,8as,8bs)-6-(3-hydroxypropyl)-7-isopropenyl-3,3a-dimethyl-1,2,4,5,7,8,8a,8b-octahydro-as-indacen-3-ol
  • 4a,17-dimethyl-a-homo-b,19-dinor-3,4-seco-5beta-androst-9-ene-3,17beta-diol
  • 4a,17-dimethyl-a-homo-b,19-dinor-3,4-secoandrost-9-ene-3,17-diol
  • as-indacene-3-propanol, 1,2,4,5,5a,6,7,8,8a,8b-decahydro-6-hydroxy-5a,6-dimethyl-2-(1-methylethenyl)-, (2r-(2alpha,5abeta,6beta,8aalpha,8bbeta))-
  • dmhdsa
CAS Number(s)
  • 145458-99-7
InChIKey UYLCMHQZHUIMIY-SLHNCBLASA-N
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