(1R,4Ar,8As)-6-{[(1R,2S,4Ar,6R,7R,8Ar)-2-Acetyl-6,7-Dihydroxy-1,5,5,8A-Tetramethyldecahydro-2-Naphthalenyl]Methyl}-1,4A-Dimethyl-1,2,3,4,4A,8A-Hexahydro-1-Naphthalenecarboxylic Acid

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Properties Simple | Detailed

Formula C30H46O5
IUPAC Name (1r,4ar,8as)-6-[[(1r,2s,4ar,6r,7r,8ar)-2-acetyl-6,7-dihydroxy-1,5,5,8a-tetramethyl-decalin-2-yl]methyl]-1,4a-dimethyl-2,3,4,8a-tetrahydronaphthalene-1-carboxylic acid
Molecular Mass 486.683 g·mol−1
Heat of Formation -1116.5 ± 16.7 kJ·mol−1
Dipole Moment 4.72 ± 1.08 D
Volume 615.62 Å 3
Surface Area 441.32 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy 3.30 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,4ar,8as)-6-((1r,2s,4ar,6r,7r,8ar)-2-acetyl-6,7-dihydroxy-1,5,5,8a-tetramethyl-decahydro-naphthalen-2-ylmethyl)-1,4a-dimethyl-1,2,3,4,4a,8a-hexahydro-naphthalene-1-carboxylic acid
  • (1r,4ar,8as)-6-[[(1r,2s,4ar,6r,7r,8ar)-2-acetyl-6,7-dihydroxy-1,5,5,8a-tetramethyl-2-decalinyl]methyl]-1,4a-dimethyl-2,3,4,8a-tetrahydronaphthalene-1-carboxylic acid
  • (1r,4ar,8as)-6-[[(1r,2s,4ar,6r,7r,8ar)-2-acetyl-6,7-dihydroxy-1,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1h-naphthalen-2-yl]methyl]-1,4a-dimethyl-2,3,4,8a-tetrahydronaphthalene-1-carboxylic acid
  • (1r,4ar,8as)-6-[[(1r,2s,4ar,6r,7r,8ar)-2-acetyl-6,7-dihydroxy-1,5,5,8a-tetramethyl-decalin-2-yl]methyl]-1,4a-dimethyl-2,3,4,8a-tetrahydronaphthalene-1-carboxylic acid
  • (1r,4ar,8as)-6-[[(1r,2s,4ar,6r,7r,8ar)-2-ethanoyl-6,7-dihydroxy-1,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1h-naphthalen-2-yl]methyl]-1,4a-dimethyl-2,3,4,8a-tetrahydronaphthalene-1-carboxylic acid
  • geumonoid
InChIKey JYKBQWDGVKFSAL-FAPPRUROSA-N
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