(7β)-7-[(1S,4As,6R,8As)-6-(2-Hydroxy-2-Propanyl)-8A-Methyl-4-Methylenedecahydro-1-Naphthalenyl]Abieta-8,11,13-Trien-12-Ol

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Properties Simple | Detailed

Formula C35H54O2
IUPAC Name (4bs,8as,10r)-10-[(1s,4as,6r,8as)-6-(1-hydroxy-1-methyl-ethyl)-8a-methyl-4-methylene-decalin-1-yl]-2-isopropyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol
Molecular Mass 506.802 g·mol−1
Heat of Formation -668.2 ± 16.7 kJ·mol−1
Dipole Moment 3.10 ± 1.08 D
Volume 683.0 Å 3
Surface Area 485.99 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy 0.29 ± eV
Point Group Symmetry C1
Synonyms
  • (4bs,8as,10r)-10-[(1s,4as,6r,8as)-6-(1-hydroxy-1-methyl-ethyl)-8a-methyl-4-methylene-decalin-1-yl]-2-isopropyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol
  • (4bs,8as,10r)-10-[(1s,4as,6r,8as)-6-(1-hydroxy-1-methylethyl)-8a-methyl-4-methylene-1-decalinyl]-2-isopropyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol
  • (4bs,8as,10r)-10-[(1s,4as,6r,8as)-6-(2-hydroxypropan-2-yl)-8a-methyl-4-methylidene-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-yl]-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol
InChIKey QJDFWYBXQNDEJQ-RPABJFINSA-N
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