(4Z)-5-{(3As,5R,6R,6As)-5-Hydroxy-6-[(1E,3S,4S)-3-Hydroxy-4-Methyl-1-Nonen-6-Yn-1-Yl]-1,3A,4,5,6,6A-Hexahydro-2-Pentalenyl}-4-Pentenoic Acid

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Properties Simple | Detailed

Formula C23H32O4
IUPAC Name (z)-5-[(3as,5r,6r,6as)-5-hydroxy-6-[(e,3s,4s)-3-hydroxy-4-methyl-non-1-en-6-ynyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pent-4-enoic acid
Molecular Mass 372.498 g·mol−1
Heat of Formation -577.3 ± 16.7 kJ·mol−1
Dipole Moment 2.75 ± 1.08 D
Volume 500.51 Å 3
Surface Area 412.74 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 0.40 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-5-[(3as,5r,6r,6as)-5-hydroxy-6-[(e,3s,4s)-3-hydroxy-4-methyl-non-1-en-6-ynyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pent-4-enoic acid
  • (z)-5-[(3as,5r,6r,6as)-5-hydroxy-6-[(e,3s,4s)-3-hydroxy-4-methylnon-1-en-6-ynyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pent-4-enoic acid
  • 4,5,18,18,19,19-hexadehydro-16,20-dimethyl-delta 6(9a)-9(o)-methano-prostaglandin i1
  • 4-penenoic acid, 5-(1,3a,4,5,6,6a-hexahydro-5-hydroxy-6-(3-hydroxy-4-methyl-1-nonen-6-ynyl)-2-pentalenyl)-, (3as-(2(z),3aalpha,5beta,6alpha(1e,3r*,4r*),6aalpha))-
  • kp 10614
  • kp-10614
CAS Number(s)
  • 130273-99-3
InChIKey LHDZAKZWZVBVTK-RISFQUNISA-N
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