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

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Formula C23H23ClO2
IUPAC Name (2r,4as,10ar)-4a-benzyl-2-(2-chloroethynyl)-1,3,4,9,10,10a-hexahydrophenanthrene-2,7-diol
Molecular Mass 366.881 g·mol−1
Heat of Formation -66.8 ± 16.7 kJ·mol−1
Dipole Moment 1.16 ± 1.08 D
Volume 429.7 Å 3
Surface Area 349.67 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy 0.17 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4as,10ar)-2-(2-chloroethynyl)-4a-(phenylmethyl)-1,3,4,9,10,10a-hexahydrophenanthrene-2,7-diol
  • (2r,4as,10ar)-4a-(benzyl)-2-(2-chloroethynyl)-1,3,4,9,10,10a-hexahydrophenanthrene-2,7-diol
InChIKey CNOAOQSZNOTZLQ-OIBXWCBGSA-N
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Elements H C O Cl