(3S,5Z,8S,9S)-8,9,16-Trihydroxy-14-Methoxy-3-Methyl-3,4,9,10,11,12-Hexahydro-1H-2-Benzoxacyclotetradecine-1,7(8H)-Dione

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Properties Simple | Detailed

Formula C19H24O7
IUPAC Name (5s,6s,8z,11s)-5,6,15-trihydroxy-17-methoxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),8,15,17-tetraene-7,13-dione
Molecular Mass 364.390 g·mol−1
Heat of Formation -1207.2 ± 16.7 kJ·mol−1
Dipole Moment 3.41 ± 1.08 D
Volume 430.39 Å 3
Surface Area 336.34 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • (5s,6s,8z,11s)-5,6,15-trihydroxy-17-methoxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),8,15,17-tetraene-7,13-dione
  • (5s,6s,8z,11s)-5,6,15-trihydroxy-17-methoxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),8,15,17-tetraene-7,13-quinone
InChIKey QXPNJMHRUZCEAP-UXBSLASESA-N
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