Ananosic Acid C

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Formula C30H44O3
IUPAC Name carbon dioxide; (5r,9r,10r,13s,14r,17r)-4,4,10,14-tetramethyl-12-methylene-17-[(1r)-1-methylhex-5-ynyl]-1,2,5,6,9,11,13,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 452.669 g·mol−1
Heat of Formation -691.0 ± 16.7 kJ·mol−1
Dipole Moment 3.86 ± 1.08 D
Volume 601.32 Å 3
Surface Area 462.7 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy 3.19 ± eV
Point Group Symmetry C1
Synonyms
  • (z,6r)-2-methyl-6-[(5r,9r,10r,13s,14r,17r)-4,4,10,14-tetramethyl-12-methylene-3-oxo-1,2,5,6,9,11,13,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-2-enoic acid
  • (z,6r)-2-methyl-6-[(5r,9r,10r,13s,14r,17r)-4,4,10,14-tetramethyl-12-methylidene-3-oxo-1,2,5,6,9,11,13,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-2-enoic acid
  • (z,6r)-6-[(5r,9r,10r,13s,14r,17r)-3-keto-4,4,10,14-tetramethyl-12-methylene-1,2,5,6,9,11,13,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-hept-2-enoic acid
InChIKey XDDHMJIDSMQIEG-BCFCAPGXSA-N
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