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

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Properties Simple | Detailed

Formula C30H42O3
IUPAC Name (2r)-4-[(1r)-2-methylenecyclopropyl]-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]butanoic acid
Molecular Mass 450.653 g·mol−1
Heat of Formation -721.8 ± 16.7 kJ·mol−1
Dipole Moment 4.80 ± 1.08 D
Volume 594.68 Å 3
Surface Area 458.11 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 3.33 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-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]-6-methyl-hept-5-enoic acid
  • (2r)-6-methyl-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]hept-5-enoic acid
InChIKey PLNOCPRTFZIBRT-VOMXGJAFSA-N
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