(2E)-3-Methyl-5-[(1S,2S,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 C20H32O2
IUPAC Name (e)-5-[(1s,2s,4ar,8ar)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methyl-pent-2-enoic acid
Molecular Mass 304.467 g·mol−1
Heat of Formation -541.5 ± 16.7 kJ·mol−1
Dipole Moment 3.13 ± 1.08 D
Volume 409.39 Å 3
Surface Area 333.91 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -0.06 ± eV
Point Group Symmetry C1
Synonyms
  • (5r*,8s*,9s*,10r*)-cleroda-3,13e-dien-15-oic acid
  • (e)-5-[(1s,2s,4ar,8ar)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methyl-pent-2-enoic acid
  • (e)-5-[(1s,2s,4ar,8ar)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enoic acid
  • 2-pentenoic acid, 3-methyl-5-[(1s,2s,4ar,8ar)-1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl]-, (2e)-
  • 3-methyl-5-(1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydro-naphthalen-1-yl)-pent-2-enoic acid
  • rel-(2e)-3-methyl-5-[(1r,2r,4as,8as)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]pent-2-enoic acid
CAS Number(s)
  • 25436-90-2
InChIKey NLVMTSRTOGOFQD-SMNKCIGXSA-N
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