(4Ar,5S,6R,8S,8Ar)-8-Hydroxy-5-[(3E)-5-Hydroxy-3-Methyl-3-Penten-1-Yl]-5,6,8A-Trimethyl-3,4,4A,5,6,7,8,8A-Octahydro-1-Naphthalenecarboxylic Acid

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Properties Simple | Detailed

Formula C20H32O4
IUPAC Name (4ar,5s,6r,8s,8ar)-8-hydroxy-5-[(e)-5-hydroxy-3-methyl-pent-3-enyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
Molecular Mass 336.466 g·mol−1
Heat of Formation -863.5 ± 16.7 kJ·mol−1
Dipole Moment 1.85 ± 1.08 D
Volume 432.07 Å 3
Surface Area 341.16 Å 2
HOMO Energy -9.92 ± 0.55 eV
LUMO Energy 0.45 ± eV
Point Group Symmetry C1
Synonyms
  • (4ar,5s,6r,8s,8ar)-8-hydroxy-5-[(e)-5-hydroxy-3-methyl-pent-3-enyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
  • (4ar,5s,6r,8s,8ar)-8-hydroxy-5-[(e)-5-hydroxy-3-methylpent-3-enyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
  • 1-naphthalenecarboxylic acid, 3,4,4a,5,6,7,8,8a-octahydro-8-hydroxy-5-(5-hydroxy-3-methyl-3-pentenyl)-5,6,8a-trimethyl-, (4ar-(4aalpha,5alpha(e),6beta,8beta,8abeta))-
  • salvicin
CAS Number(s)
  • 104700-94-9
InChIKey GTOZGWPAQKVWLE-DLOZJNQXSA-N
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