(2R,4As,6As,8Ar,10S,12As,14As,14Br)-10-Hydroxy-2,4A,6A,9,9,12A,14A-Heptamethyl-1,2,3,4,4A,5,6,6A,7,8,8A,9,10,11,12,12A,13,14,14A,14B-Icosahydro-2-Picenecarboxylic Acid

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Formula C30H48O3
IUPAC Name (2r,4as,6as,8ar,10s,12as,14as,14br)-10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-2-carboxylic acid
Molecular Mass 456.700 g·mol−1
Heat of Formation -878.6 ± 16.7 kJ·mol−1
Dipole Moment 2.99 ± 1.08 D
Volume 590.26 Å 3
Surface Area 420.48 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 0.86 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4as,6as,8ar,10s,12as,14as,14br)-10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11,12,12a,13,14,14a,14b-eicosahydro-picene-2-carboxylic acid
  • (2r,4as,6as,8ar,10s,12as,14as,14br)-10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-2-carboxylic acid
  • bryonolic acid
CAS Number(s)
  • 24480-44-2
InChIKey BHVJSLPLFOAMEV-FPLINDMSSA-N
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