(1α,4Aalpha,4Bbeta,10Beta)-10-Formyl-1,4A-Dimethyl-8-Methylenegibbane-1-Carboxylic Acid

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Properties Simple | Detailed

Formula C20H28O3
IUPAC Name (1alpha,4aalpha,4bbeta,10beta)-10-formyl-1,4a-dimethyl-8-methylenegibbane-1-carboxylic acid
Molecular Mass 316.435 g·mol−1
Heat of Formation -597.9 ± 16.7 kJ·mol−1
Dipole Moment 3.03 ± 1.08 D
Volume 397.51 Å 3
Surface Area 306.67 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy 0.73 ± eV
Point Group Symmetry C1
Synonyms
  • (1alpha,4aalpha,4bbeta,10beta)-10-formyl-1,4a-dimethyl-8-methylene-gibbane-1-carboxylic acid
  • (1r,2s,3s,4r,8s,9s,12r)-2-formyl-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-4-carboxylic acid
  • 10beta-formyl-1beta,4a-dimethyl-8-methylidene-4aalpha,4bbeta-gibbane-1alpha-carboxylic acid
  • gibberellin-a-12-aldehyde
InChIKey ZCTUNYRXJKLWPY-LLCOKINKSA-N
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