(+)-Totaradiol

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Formula C20H30O2
IUPAC Name (2s,4as,10ar)-8-isopropyl-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-2,7-diol
Molecular Mass 302.451 g·mol−1
Heat of Formation -516.8 ± 16.7 kJ·mol−1
Dipole Moment 1.83 ± 1.08 D
Volume 395.51 Å 3
Surface Area 318.12 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy 0.27 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4as,10ar)-1,1,4a-trimethyl-8-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-2,7-diol
  • (2s,4as,10ar)-8-isopropyl-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-2,7-diol
InChIKey NORGIWDZGWMMGU-ABSDTBQOSA-N
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