(7α)-7-{[(4Ar,5R,8S,8Ar)-5-Hydroxy-8-Isopropyl-5-Methyl-3,4,4A,5,6,7,8,8A-Octahydro-2-Naphthalenyl]Methyl}Abieta-8(14),9(11),12-Trien-12-Ol

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Properties Simple | Detailed

Formula C35H54O2
IUPAC Name (4bs,8as,10s)-10-[[(4ar,5r,8s,8ar)-5-hydroxy-8-isopropyl-5-methyl-4,4a,6,7,8,8a-hexahydro-3h-naphthalen-2-yl]methyl]-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 -711.9 ± 16.7 kJ·mol−1
Dipole Moment 1.23 ± 1.08 D
Volume 683.11 Å 3
Surface Area 507.99 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy 0.35 ± eV
Point Group Symmetry C1
Synonyms
  • (4bs,8as,10s)-10-[[(4ar,5r,8s,8ar)-5-hydroxy-5-methyl-8-propan-2-yl-4,4a,6,7,8,8a-hexahydro-3h-naphthalen-2-yl]methyl]-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol
  • (4bs,8as,10s)-10-[[(4ar,5r,8s,8ar)-5-hydroxy-8-isopropyl-5-methyl-4,4a,6,7,8,8a-hexahydro-3h-naphthalen-2-yl]methyl]-2-isopropyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol
InChIKey ZBJRPMGEEOSMIM-IKCQQGRZSA-N
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