(3As,4R,9Br)-4-(4-Hydroxyphenyl)-6-(Methoxymethyl)-1,2,3,3A,4,9B-Hexahydrocyclopenta[C]Chromen-8-Ol

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Formula C20H22O4
IUPAC Name (3as,4r,9br)-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
Molecular Mass 326.386 g·mol−1
Heat of Formation -559.6 ± 16.7 kJ·mol−1
Dipole Moment 2.29 ± 1.08 D
Volume 391.66 Å 3
Surface Area 340.32 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy -0.05 ± eV
Point Group Symmetry C1
Synonyms
  • jj3
InChIKey RHQLNMNKTIOREN-AOIWGVFYSA-N
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Elements H C O