Poricoic Acid G

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Properties Simple | Detailed

Formula C30H46O5
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-hept-5-enoic acid
Molecular Mass 486.683 g·mol−1
Heat of Formation -1169.7 ± 16.7 kJ·mol−1
Dipole Moment 3.81 ± 1.08 D
Volume 636.71 Å 3
Surface Area 479.05 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 0.95 ± 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-hept-5-enoic 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-methylhept-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-hept-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-methylhept-5-enoic acid
  • 16.alpha.-hydroxy-3,4-secolanosta-4(28),8,24-triene-3,21-dioic acid
  • 1h-benz[e]indene-6-propanoic acid, 3-(1-carboxy-5-methyl-4-hexenyl)-2,3,3a,4,5,6,7,8,9,9b-decahydro-2-hydroxy-3a,6,9b-trimethyl-7-(1-methylethenyl)-, (2r,3r,3ar,6s,9br)-
  • 2-[6-(2-carboxy-ethyl)-2-hydroxy-7-isopropenyl-3a,6,9b-trimethyl-2,3,3a,4,5,6,7,8,9,9b-decahydro-1h-cyclopenta[a]naphthalen-3-yl]-6-methyl-hept-5-enoic acid
  • rel-(2r)-2-[(2r,3r,3ar,6s,9br)-6-(2-carboxyethyl)-2-hydroxy-7-isopropenyl-3a,6,9b-trimethyl-2,3,3a,4,5,6,7,8,9,9b-decahydro-1h-cyclopenta[a]naphthalen-3-yl]-6-methylhept-5-enoic acid
InChIKey VPTZOSBKEDUOFE-KXGBKNTBSA-N
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