(3S,5R,11Z)-5,14,16-Trihydroxy-3-Methyl-3,4,5,6,9,10-Hexahydro-1H-2-Benzoxacyclotetradecine-1,7(8H)-Dione

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Properties Simple | Detailed

Formula C18H22O6
IUPAC Name (2z,9r,11s)-9,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,15,17-tetraene-7,13-dione
Molecular Mass 334.364 g·mol−1
Heat of Formation -1069.3 ± 16.7 kJ·mol−1
Dipole Moment 2.59 ± 1.08 D
Volume 398.89 Å 3
Surface Area 317.34 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,6r,12z)-6,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(18),12,14,16-tetraene-2,8-dione
  • (4s,6r,12z)-6,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(18),12,14,16-tetraene-2,8-quinone
  • 3,4,5,6,9,10-hexahydro-5,14,16-trihydroxy-3-methyl-1h-2-benzoxacyclotetradecin-1,7(8h)-dione
  • 8'-hydroxyzearalenone
CAS Number(s)
  • 40785-64-6
InChIKey GJFPDPNMJOCHCT-GXCJQXLXSA-N
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