(4R,6R)-4-Hydroxy-6-{2-[(1S,2S,6R,8S,8Ar)-8-Hydroxy-2,6-Dimethyl-1,2,6,7,8,8A-Hexahydro-1-Naphthalenyl]Ethyl}Tetrahydro-2H-Pyran-2-One

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Properties Simple | Detailed

Formula C19H28O4
IUPAC Name (4r,6r)-6-[2-[(1s,2s,6r,8s,8ar)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxy-tetrahydropyran-2-one
Molecular Mass 320.423 g·mol−1
Heat of Formation -794.7 ± 16.7 kJ·mol−1
Dipole Moment 3.78 ± 1.08 D
Volume 402.26 Å 3
Surface Area 342.76 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -0.05 ± eV
Point Group Symmetry C1
Synonyms
  • (4r,6r)-6-[2-[(1s,2s,6r,8s,8ar)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxy-2-tetrahydropyranone
  • (4r,6r)-6-[2-[(1s,2s,6r,8s,8ar)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxy-oxan-2-one
  • (4r,6r)-6-[2-[(1s,2s,6r,8s,8ar)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxy-tetrahydropyran-2-one
  • (4r,6r)-6-[2-[(1s,2s,6r,8s,8ar)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxyoxan-2-one
InChIKey ZDFOBOYQVYMVCW-IRUSZSJRSA-N
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