(−)-Blepharocalyxin D

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Properties Simple | Detailed

Formula C31H20O6
IUPAC Name 4-[(2s,4s,4as,5s,7s,8ar)-4-[(e)-2-(4-hydroxyphenyl)ethenyl]-2,7-bis[2-(4-hydroxyphenyl)ethyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyran-5-yl]phenol
Molecular Mass 488.487 g·mol−1
Heat of Formation -804.4 ± 16.7 kJ·mol−1
Dipole Moment 1.71 ± 1.08 D
Volume 737.0 Å 3
Surface Area 587.25 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(2s,4s,4as,5s,7s,8ar)-2,7-bis[2-(4-hydroxyphenyl)ethyl]-4-[(e)-2-(4-hydroxyphenyl)vinyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyran-5-yl]phenol
InChIKey NEVDYTIAHUSATO-LEGNDWSYSA-N
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Elements H C O