(6Bs,8As,11R,12Ar,12Bs,14Ar)-2,3-Dihydroxy-11-(Methoxycarbonyl)-6B,8A,11,12B,14A-Pentamethyl-5-Oxo-5,6B,7,8,8A,9,10,11,12,12A,12B,13,14,14A-Tetradecahydro-4-Picenecarboxylic Acid

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Formula C30H38O7
IUPAC Name (6as,6bs,8as,11r,12ar,14ar)-2,3-dihydroxy-11-methoxycarbonyl-6a,6b,8a,11,14a-pentamethyl-5-oxo-7,8,9,10,12,12a,13,14-octahydropicene-4-carboxylic acid
Molecular Mass 510.619 g·mol−1
Heat of Formation -1276.5 ± 16.7 kJ·mol−1
Dipole Moment 10.06 ± 1.08 D
Volume 599.04 Å 3
Surface Area 442.56 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy 2.14 ± eV
Point Group Symmetry C1
Synonyms
  • (6as,6bs,8as,11r,12ar,14ar)-11-carbomethoxy-2,3-dihydroxy-5-keto-6a,6b,8a,11,14a-pentamethyl-7,8,9,10,12,12a,13,14-octahydropicene-4-carboxylic acid
  • (6as,6bs,8as,11r,12ar,14ar)-2,3-dihydroxy-11-methoxycarbonyl-6a,6b,8a,11,14a-pentamethyl-5-oxo-7,8,9,10,12,12a,13,14-octahydropicene-4-carboxylic acid
InChIKey DXDSZUXZQIKMRQ-GMZGOHOASA-N
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