3-Oxolanosta-8,24-Dien-30-Oic Acid

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Properties Simple | Detailed

Formula C30H46O3
IUPAC Name (5r,10s,13r,14s,17r)-17-[(1r)-1,5-dimethylhex-5-enyl]-4,4,10,13-tetramethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthrene-14-carboxylic acid
Molecular Mass 454.684 g·mol−1
Heat of Formation -792.2 ± 16.7 kJ·mol−1
Dipole Moment 5.02 ± 1.08 D
Volume 600.1 Å 3
Surface Area 458.59 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy 3.93 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,10s,13r,14s,17r)-17-[(1r)-1,5-dimethylhex-4-enyl]-3-keto-4,4,10,13-tetramethyl-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthrene-14-carboxylic acid
  • (5r,10s,13r,14s,17r)-17-[(1r)-1,5-dimethylhex-4-enyl]-4,4,10,13-tetramethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthrene-14-carboxylic acid
  • (5r,10s,13r,14s,17r)-4,4,10,13-tetramethyl-17-[(2r)-6-methylhept-5-en-2-yl]-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthrene-14-carboxylic acid
InChIKey KRBPNFFLXMZLCT-VOMXGJAFSA-N
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