(2Z)-3-Formyl-5-[(1S,2R,4Ar,8Ar)-1,2,4A,5-Tetramethyl-1,2,3,4,4A,7,8,8A-Octahydro-1-Naphthalenyl]-2-Pentenoic Acid

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Properties Simple | Detailed

Formula C20H30O3
IUPAC Name (z)-5-[(1s,2r,4ar,8ar)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-formyl-pent-2-enoic acid
Molecular Mass 318.450 g·mol−1
Heat of Formation -614.5 ± 16.7 kJ·mol−1
Dipole Moment 3.52 ± 1.08 D
Volume 418.69 Å 3
Surface Area 336.47 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
Synonyms
  • (1s-(1alpha(z),2beta,4abeta,8aalpha))-3-formyl-5-(1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)-2-pentenoic acid
  • (z)-5-[(1s,2r,4ar,8ar)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-formyl-pent-2-enoic acid
  • (z)-5-[(1s,2r,4ar,8ar)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-formylpent-2-enoic acid
  • (z)-5-[(1s,2r,4ar,8ar)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methanoyl-pent-2-enoic acid
  • 16-oxocleroda-3,13(14)-dien-15-oic acid
  • 2-pentenoic acid, 3-formyl-5-(1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)-, (1s-(1alpha(z),2beta,4abeta,8aalpha))-
  • polyalthialdoic acid
CAS Number(s)
  • 137109-33-2
InChIKey LUZARHTWSOXFLP-DQLOYZPXSA-N
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