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

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Properties Simple | Detailed

Formula C19H22O7
IUPAC Name (4s,6z,9s,10s,12e)-9,10,18-trihydroxy-16-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
Molecular Mass 362.374 g·mol−1
Heat of Formation -1084.6 ± 16.7 kJ·mol−1
Dipole Moment 5.86 ± 1.08 D
Volume 424.24 Å 3
Surface Area 349.5 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,5s,6s,8z,11s)-5,6,15-trihydroxy-17-methoxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,8,15,17-pentaene-7,13-dione
  • (2e,5s,6s,8z,11s)-5,6,15-trihydroxy-17-methoxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,8,15,17-pentaene-7,13-quinone
InChIKey NEQZWEXWOFPKOT-BYRRXHGESA-N
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