(2R,4As,10Ar)-4A-Benzyl-2-(1-Propyn-1-Yl)-1,2,3,4,4A,9,10,10A-Octahydro-2,7-Phenanthrenediol

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Formula C24H26O2
IUPAC Name (2r,4as,10ar)-4a-benzyl-2-prop-1-ynyl-1,3,4,9,10,10a-hexahydrophenanthrene-2,7-diol
Molecular Mass 346.462 g·mol−1
Heat of Formation -112.3 ± 16.7 kJ·mol−1
Dipole Moment 2.79 ± 1.08 D
Volume 435.1 Å 3
Surface Area 354.5 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 3.24 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4as,10ar)-4a-(benzyl)-2-prop-1-ynyl-1,3,4,9,10,10a-hexahydrophenanthrene-2,7-diol
InChIKey WDSPVCXWXOIFRA-HUVFLSCGSA-N
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