(2R)-2-[(2R,3R,3Ar,6S,7S,9Br)-6-(2-Carboxyethyl)-2-Hydroxy-7-Isopropenyl-3A,6,9B-Trimethyl-2,3,3A,4,6,7,8,9B-Octahydro-1H-Cyclopenta[A]Naphthalen-3-Yl]-6-Methyl-5-Methyleneheptanoic Acid

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Properties Simple | Detailed

Formula C31H46O5
IUPAC Name (2r)-2-[(2r,3r,3ar,6s,7s,9br)-6-(2-carboxyethyl)-2-hydroxy-7-isopropenyl-3a,6,9b-trimethyl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylene-heptanoic acid
Molecular Mass 498.694 g·mol−1
Heat of Formation -1085.7 ± 16.7 kJ·mol−1
Dipole Moment 4.81 ± 1.08 D
Volume 655.09 Å 3
Surface Area 476.4 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy 0.23 ± 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-1,2,3,4,7,8-hexahydrocyclopenta[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-1,2,3,4,7,8-hexahydrocyclopenta[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-1,2,3,4,7,8-hexahydrocyclopenta[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-1,2,3,4,7,8-hexahydrocyclopenta[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-1,2,3,4,7,8-hexahydrocyclopenta[h]naphthalen-3-yl]-6-methyl-5-methyleneheptanoic acid
  • (r)-2-[(2r,3r,3ar,6s,7s,9br)-6-(2-carboxy-ethyl)-2-hydroxy-7-isopropenyl-3a,6,9b-trimethyl-2,3,3a,4,6,7,8,9b-octahydro-1h-benz[e]inden-3-yl]-6-methyl-5-methylene-heptanoic acid
  • 16.alpha.-hydroxy-3,4-seco-24-methyllanosta-4(28),7,9(11),24(24(sup 1))-tetraene-3,21-dioic acid
  • poricoic acid a
InChIKey KVAQLXUMUVEKGR-SMFZDKLCSA-N
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