(2R,4As,6As,12Br,14As,14Br)-9-Formyl-10,11-Dihydroxy-2,4A,6A,12B,14A-Pentamethyl-8-Oxo-1,2,3,4,4A,5,6,6A,8,12B,13,14,14A,14B-Tetradecahydro-2-Picenecarboxylic Acid

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Formula C29H36O6
IUPAC Name (2r,4as,6ar,6as,14as,14br)-9-formyl-10,11-dihydroxy-2,4a,6a,6a,14a-pentamethyl-8-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid
Molecular Mass 480.593 g·mol−1
Heat of Formation -1058.1 ± 16.7 kJ·mol−1
Dipole Moment 10.26 ± 1.08 D
Volume 567.01 Å 3
Surface Area 420.36 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4as,6as,6ar,14as,14br)-10,11-dihydroxy-9-methanoyl-2,4a,6a,6a,14a-pentamethyl-8-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid
  • (2r,4as,6as,6ar,14as,14br)-9-formyl-10,11-dihydroxy-2,4a,6a,6a,14a-pentamethyl-8-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid
  • (2r,4as,6as,6ar,14as,14br)-9-formyl-10,11-dihydroxy-8-keto-2,4a,6a,6a,14a-pentamethyl-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid
InChIKey ZDZSFWLPCFRASW-CPISFEQASA-N
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