14-Deoxycoleon

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Formula C20H26O4
IUPAC Name (4ar)-5,6,10-trihydroxy-7-isopropyl-1,1,4a-trimethyl-3,4-dihydro-2h-phenanthren-9-one
Molecular Mass 330.418 g·mol−1
Heat of Formation -733.3 ± 16.7 kJ·mol−1
Dipole Moment 4.00 ± 1.08 D
Volume 398.02 Å 3
Surface Area 327.9 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
Synonyms
  • (4ar)-5,6,10-trihydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4-dihydro-2h-phenanthren-9-one
  • (4ar)-5,6,10-trihydroxy-7-isopropyl-1,1,4a-trimethyl-3,4-dihydro-2h-phenanthren-9-one
InChIKey QDFALZMZLBCVCD-HXUWFJFHSA-N
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