Methyl 11,12-Dihydroxyabieta-8(14),9(11),12-Trien-20-Oate

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Properties Simple | Detailed

Formula C21H30O4
IUPAC Name methyl (4ar,10as)-5,6-dihydroxy-7-isopropyl-1,1-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylate
Molecular Mass 346.461 g·mol−1
Heat of Formation -844.5 ± 16.7 kJ·mol−1
Dipole Moment 4.08 ± 1.08 D
Volume 429.93 Å 3
Surface Area 343.09 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -0.15 ± eV
Point Group Symmetry C1
Synonyms
  • (4ar,10as)-5,6-dihydroxy-7-isopropyl-1,1-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid methyl ester
  • methyl (4ar,10as)-5,6-dihydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylate
  • methyl (4ar,10as)-5,6-dihydroxy-7-isopropyl-1,1-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylate
InChIKey IIJLVJMZYPZQLW-YCRPNKLZSA-N
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