(2-{(2R,3As,4R,5R,6As)-5-Hydroxy-4-[(1E,3S,5S)-3-Hydroxy-5-Methyl-1-Nonen-1-Yl]Octahydro-2-Pentalenyl}Ethoxy)Acetic Acid

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Properties Simple | Detailed

Formula C22H38O5
IUPAC Name 2-[2-[(2r,3as,4r,5r,6as)-5-hydroxy-4-[(e,3s,5s)-3-hydroxy-5-methyl-non-1-enyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]ethoxy]acetic acid
Molecular Mass 382.534 g·mol−1
Heat of Formation -1149.4 ± 16.7 kJ·mol−1
Dipole Moment 3.42 ± 1.08 D
Volume 517.12 Å 3
Surface Area 378.84 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy 0.50 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[2-[(2r,3as,4r,5r,6as)-5-hydroxy-4-[(e,3s,5s)-3-hydroxy-5-methyl-non-1-enyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]ethoxy]acetic acid
  • 2-[2-[(2r,3as,4r,5r,6as)-5-hydroxy-4-[(e,3s,5s)-3-hydroxy-5-methyl-non-1-enyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]ethoxy]ethanoic acid
  • 2-[2-[(2r,3as,4r,5r,6as)-5-hydroxy-4-[(e,3s,5s)-3-hydroxy-5-methylnon-1-enyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]ethoxy]acetic acid
  • acetic acid, (2-((2r,3as,4r,5r,6as)-octahydro-5-hydroxy-4-((1e,3s,5s)-3-hydroxy-5-methyl-1-nonenyl)-2-pentalenyl)ethoxy)-
  • acetic acid, (2-(octahydro-5-hydroxy-4-(3-hydroxy-5-methyl-1-nonenyl)-2-pentalenyl)ethoxy)-, (2r-(2alpha,3aalpha,4alpha(1e,3s*,5s*),5beta,6aalpha))-
  • sm-10906
CAS Number(s)
  • 157318-92-8
InChIKey KCWJAXJEGXEZQC-JKVOQSHXSA-N
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