(3R,3As,4S,8As)-3-Hydroxy-3-Isopropyl-6,8A-Dimethyl-8-Oxo-1,2,3,3A,4,5,8,8A-Octahydro-4-Azulenyl (2Z)-2-Methyl-2-Butenoate

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Properties Simple | Detailed

Formula C20H30O4
IUPAC Name [(3r,3as,4s,8as)-3-hydroxy-3-isopropyl-6,8a-dimethyl-8-oxo-2,3a,4,5-tetrahydro-1h-azulen-4-yl] (z)-2-methylbut-2-enoate
Molecular Mass 334.450 g·mol−1
Heat of Formation -842.7 ± 16.7 kJ·mol−1
Dipole Moment 3.18 ± 1.08 D
Volume 435.33 Å 3
Surface Area 325.78 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy 0.10 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-2-methylbut-2-enoic acid [(3r,3as,4s,8as)-3-hydroxy-3-isopropyl-6,8a-dimethyl-8-oxo-2,3a,4,5-tetrahydro-1h-azulen-4-yl] ester
  • (z)-2-methylbut-2-enoic acid [(3r,3as,4s,8as)-3-hydroxy-3-isopropyl-8-keto-6,8a-dimethyl-2,3a,4,5-tetrahydro-1h-azulen-4-yl] ester
  • 2-butenoic acid, 2-methyl-, 1,2,3,3a,4,5,8,8a-octahydro-3-hydroxy-6,6a-dimethyl-3-(1-methylethyl)-8-oxo-4-azulenyl ester, (3r-(3alpha,3abeta,4beta(z),8aalpha))-
  • [(3r,3as,4s,8as)-3-hydroxy-3-isopropyl-6,8a-dimethyl-8-oxo-2,3a,4,5-tetrahydro-1h-azulen-4-yl] (z)-2-methylbut-2-enoate
  • [(3r,3as,4s,8as)-3-hydroxy-6,8a-dimethyl-8-oxo-3-propan-2-yl-2,3a,4,5-tetrahydro-1h-azulen-4-yl] (z)-2-methylbut-2-enoate
  • lapidin
CAS Number(s)
  • 79863-24-4
InChIKey YMWBTMBPEHUMBA-GULXXORSSA-N
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