(1S,4As,10Ar)-6-Acetoxy-1,4A-Dimethyl-1,2,3,4,4A,9,10,10A-Octahydro-1-Phenanthrenecarboxylic Anhydride

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Properties Simple | Detailed

Formula C38H46O7
IUPAC Name [(1s,4as,10ar)-6-acetoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl] (1s,4as,10ar)-6-acetoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
Molecular Mass 614.768 g·mol−1
Heat of Formation -1352.1 ± 16.7 kJ·mol−1
Dipole Moment 1.25 ± 1.08 D
Volume 741.25 Å 3
Surface Area 560.58 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy 0.19 ± eV
Point Group Symmetry C2
Synonyms
  • (1s,4as,10ar)-6-acetoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid [(1s,4as,10ar)-6-acetoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl] ester
  • (1s,4as,10ar)-6-acetoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid [[(1s,4as,10ar)-6-acetoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]-oxomethyl] ester
  • [(1s,4as,10ar)-6-acetoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl] (1s,4as,10ar)-6-acetoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
  • [(1s,4as,10ar)-6-acetyloxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]carbonyl (1s,4as,10ar)-6-acetyloxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
  • [(1s,4as,10ar)-6-acetyloxy-1,4a-dimethyl2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl] (1s,4as,10ar)-6-acetyloxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
InChIKey OUJQRQRBNRGQTC-SPGSYPTKSA-N
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