Methyl (4S,4Ar,5S,6R,8Ar)-5-[2-(3-Furyl)Ethyl]-4-Hydroxy-6-(Hydroxymethyl)-5,8A-Dimethyl-3,4,4A,5,6,7,8,8A-Octahydro-1-Naphthalenecarboxylate

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Properties Simple | Detailed

Formula C21H30O5
IUPAC Name methyl (4s,4ar,5s,6r,8ar)-5-[2-(3-furyl)ethyl]-4-hydroxy-6-(hydroxymethyl)-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate
Molecular Mass 362.460 g·mol−1
Heat of Formation -845.0 ± 16.7 kJ·mol−1
Dipole Moment 3.08 ± 1.08 D
Volume 448.09 Å 3
Surface Area 357.79 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy 0.28 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,4ar,5s,6r,8ar)-5-[2-(3-furyl)ethyl]-4-hydroxy-5,8a-dimethyl-6-methylol-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid methyl ester
  • (4s,4ar,5s,6r,8ar)-5-[2-(3-furyl)ethyl]-4-hydroxy-6-(hydroxymethyl)-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid methyl ester
  • methyl (4s,4ar,5s,6r,8ar)-5-(2-furan-3-ylethyl)-4-hydroxy-6-(hydroxymethyl)-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate
  • methyl (4s,4ar,5s,6r,8ar)-5-[2-(3-furyl)ethyl]-4-hydroxy-6-(hydroxymethyl)-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate
InChIKey ZCYNGZQSKJQXRJ-WJLOEWIOSA-N
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