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

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Formula C21H27NO6
IUPAC Name (4s,5r,6z,9s,10s,12e)-16-(ethylamino)-9,10,18-trihydroxy-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
Molecular Mass 389.442 g·mol−1
Heat of Formation -1020.7 ± 16.7 kJ·mol−1
Dipole Moment 5.12 ± 1.08 D
Volume 465.91 Å 3
Surface Area 379.2 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 2.64 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,5r,6z,9s,10s,12e)-16-ethylamino-9,10,18-trihydroxy-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
  • (4s,5r,6z,9s,10s,12e)-16-ethylamino-9,10,18-trihydroxy-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-quinone
InChIKey MWUFVYLAWAXDHQ-HMNLTAHHSA-N
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