(4R,4As,5R,7R,8S,8Ar)-3-[(2R)-2-Butanyl]-7,8-Dihydroxy-4-(3-Hydroxypropanoyl)-4,5-Dimethyl-4A,5,6,7,8,8A-Hexahydro-1(4H)-Naphthalenone

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Formula C19H30O5
IUPAC Name (4r,4as,5r,7r,8s,8ar)-7,8-dihydroxy-4-(3-hydroxypropanoyl)-4,5-dimethyl-3-[(1r)-1-methylpropyl]-4a,5,6,7,8,8a-hexahydronaphthalen-1-one
Molecular Mass 338.439 g·mol−1
Heat of Formation -1066.7 ± 16.7 kJ·mol−1
Dipole Moment 2.28 ± 1.08 D
Volume 419.13 Å 3
Surface Area 324.55 Å 2
HOMO Energy -10.17 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • (4r,4as,5r,7r,8s,8ar)-3-[(2r)-butan-2-yl]-7,8-dihydroxy-4-(3-hydroxypropanoyl)-4,5-dimethyl-4a,5,6,7,8,8a-hexahydronaphthalen-1-one
  • (4r,4as,5r,7r,8s,8ar)-7,8-dihydroxy-4-(3-hydroxy-1-oxopropyl)-4,5-dimethyl-3-sec-butyl-4a,5,6,7,8,8a-hexahydronaphthalen-1-one
  • (4r,4as,5r,7r,8s,8ar)-7,8-dihydroxy-4-(3-hydroxypropanoyl)-4,5-dimethyl-3-sec-butyl-4a,5,6,7,8,8a-hexahydronaphthalen-1-one
InChIKey IKHHODUJTQSREF-JPSZPDDFSA-N
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