Epi-Calyxin F

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Properties Simple | Detailed

Formula C35H30O8
IUPAC Name (e)-1-[2,4-dihydroxy-3-[(2s,4r,6s)-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethyl]oxan-4-yl]-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Molecular Mass 578.608 g·mol−1
Heat of Formation -1109.9 ± 16.7 kJ·mol−1
Dipole Moment 3.56 ± 1.08 D
Volume 691.12 Å 3
Surface Area 581.6 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy 2.37 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-1-[2,4-dihydroxy-3-[(2s,4r,6s)-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethyl]-4-tetrahydropyranyl]-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
  • (e)-1-[2,4-dihydroxy-3-[(2s,4r,6s)-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethyl]oxan-4-yl]-6-methoxy-phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
  • (e)-1-[2,4-dihydroxy-3-[(2s,4r,6s)-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethyl]tetrahydropyran-4-yl]-6-methoxy-phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
InChIKey LPRJKEYEZOKENY-VKTVXKIRSA-N
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