24-Methylene-3-Oxolanosta-7,9(11)-Dien-21-Oic Acid

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Properties Simple | Detailed

Formula C31H46O3
IUPAC Name (2r)-6-methyl-5-methylene-2-[(5r,10s,13r,14r,17r)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid
Molecular Mass 466.695 g·mol−1
Heat of Formation -727.6 ± 16.7 kJ·mol−1
Dipole Moment 4.37 ± 1.08 D
Volume 619.91 Å 3
Surface Area 465.67 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy 3.31 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-5-isopropyl-2-[(5r,10s,13r,14r,17r)-3-keto-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]hex-5-enoic acid
  • (2r)-6-methyl-5-methylene-2-[(5r,10s,13r,14r,17r)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid
  • (2r)-6-methyl-5-methylidene-2-[(5r,10s,13r,14r,17r)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid
  • 3-oxolanosta-7,9(11),24(24 1)-trien-21-oic acid
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