Carpinontriol A

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Properties Simple | Detailed

Formula C19H20O6
IUPAC Name carpinontriol a
Molecular Mass 344.359 g·mol−1
Heat of Formation -973.0 ± 16.7 kJ·mol−1
Dipole Moment 5.29 ± 1.08 D
Volume 389.14 Å 3
Surface Area 311.85 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
Synonyms
  • 3,8,11,12,17-pentahydroxy-tricyclo[12.3.1.1^(2,6)]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-9-one
  • rel-(8r,11r,12s)-3,8,11,12,17-pentahydroxytricyclo[12.3.1.1~2,6~]nonadeca-1(18),2(19),3,5,14,16-hexaen-9-one
  • tricyclo[12.3.1.1~2,6~]nonadeca-1(18),2,4,6(19),14,16-hexaen-9-one, 3,8,11,12,17-pentahydroxy-, (8r,11r,12s)-
InChIKey QJFDNLWGPQQYCU-RCCFBDPRSA-N
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