Poricoic Acid H

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Formula C31H48O5
IUPAC Name (2r)-2-[(2r,3r,3ar,6s,7s,9br)-6-(2-carboxyethyl)-2-hydroxy-7-isopropenyl-3a,6,9b-trimethyl-1,2,3,4,5,7,8,9-octahydrocyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylene-heptanoic acid
Molecular Mass 500.710 g·mol−1
Heat of Formation -1170.9 ± 16.7 kJ·mol−1
Dipole Moment 4.91 ± 1.08 D
Volume 663.24 Å 3
Surface Area 481.47 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy 1.03 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[(2r,3r,3ar,6s,7s,9br)-6-(2-carboxyethyl)-2-hydroxy-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,5,7,8,9-octahydrocyclopenta[h]naphthalen-3-yl]-6-methyl-5-methylidene-heptanoic acid
  • (2r)-2-[(2r,3r,3ar,6s,7s,9br)-6-(2-carboxyethyl)-2-hydroxy-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,5,7,8,9-octahydrocyclopenta[h]naphthalen-3-yl]-6-methyl-5-methylideneheptanoic acid
  • (2r)-2-[(2r,3r,3ar,6s,7s,9br)-6-(2-carboxyethyl)-2-hydroxy-7-isopropenyl-3a,6,9b-trimethyl-1,2,3,4,5,7,8,9-octahydrocyclopenta[h]naphthalen-3-yl]-5-isopropyl-hex-5-enoic acid
  • (2r)-2-[(2r,3r,3ar,6s,7s,9br)-6-(2-carboxyethyl)-2-hydroxy-7-isopropenyl-3a,6,9b-trimethyl-1,2,3,4,5,7,8,9-octahydrocyclopenta[h]naphthalen-3-yl]-6-methyl-5-methylene-heptanoic acid
  • (2r)-2-[(2r,3r,3ar,6s,7s,9br)-6-(2-carboxyethyl)-2-hydroxy-7-isopropenyl-3a,6,9b-trimethyl-1,2,3,4,5,7,8,9-octahydrocyclopenta[h]naphthalen-3-yl]-6-methyl-5-methyleneheptanoic acid
InChIKey GKXXWKRLARTIQL-SMFZDKLCSA-N
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