Methyl (2E)-3-[(2R,4As,7R,8S,8Ar)-7-Acetoxy-8-Hydroxy-4A,8-Dimethyldecahydro-2-Naphthalenyl]Acrylate

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Formula C18H28O5
IUPAC Name methyl (e)-3-[(2r,4as,7r,8s,8ar)-7-acetoxy-8-hydroxy-4a,8-dimethyl-decalin-2-yl]prop-2-enoate
Molecular Mass 324.412 g·mol−1
Heat of Formation -1054.9 ± 16.7 kJ·mol−1
Dipole Moment 3.13 ± 1.08 D
Volume 404.89 Å 3
Surface Area 341.33 Å 2
HOMO Energy -10.13 ± 0.55 eV
LUMO Energy -0.11 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-[(2r,4as,7r,8s,8ar)-7-acetoxy-8-hydroxy-4a,8-dimethyl-2-decalinyl]prop-2-enoic acid methyl ester
  • (e)-3-[(2r,4as,7r,8s,8ar)-7-acetoxy-8-hydroxy-4a,8-dimethyl-decalin-2-yl]acrylic acid methyl ester
  • methyl (e)-3-[(2r,4as,7r,8s,8ar)-7-acetyloxy-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoate
InChIKey BWEZAELZEOOOJT-POCSJANHSA-N
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