(2R,4As,6Ar,6Bs,8As,9R,12As,12Bs,14As,14Br)-2,4A,6A,8A,9,12B,14A-Heptamethyl-10-Oxodocosahydro-2-Picenecarboxylic Acid

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Formula C30H48O3
IUPAC Name (2r,4as,6as,6ar,6bs,8as,9r,12as,14as,14br)-2,4a,6a,6a,8a,9,14a-heptamethyl-10-oxo-3,4,5,6,6b,7,8,9,11,12,12a,13,14,14b-tetradecahydro-1h-picene-2-carboxylate
Molecular Mass 456.700 g·mol−1
Heat of Formation 49.3 ± 16.7 kJ·mol−1
Dipole Moment 46.01 ± 1.08 D
Volume 578.85 Å 3
Surface Area 414.78 Å 2
HOMO Energy -5.89 ± 0.55 eV
LUMO Energy -3.96 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4as,6ar,6as,6bs,8as,9r,12as,14as,14br)-10-keto-2,4a,6a,6a,8a,9,14a-heptamethyl-3,4,5,6,6b,7,8,9,11,12,12a,13,14,14b-tetradecahydro-1h-picene-2-carboxylic acid
  • (2r,4as,6ar,6as,6bs,8as,9r,12as,14as,14br)-2,4a,6a,6a,8a,9,14a-heptamethyl-10-oxo-3,4,5,6,6b,7,8,9,11,12,12a,13,14,14b-tetradecahydro-1h-picene-2-carboxylic acid
  • d:a-friedooleanan-29-oic acid, 3-oxo-, (20alpha)-
CAS Number(s)
  • 33600-93-0
InChIKey WHWHDGKOSUKYOV-GDXNDQEESA-N
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