(-)-Centrolobine

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Properties Simple | Detailed

Formula C20H24O3
IUPAC Name 4-[2-[(2r,6s)-6-(4-methoxyphenyl)tetrahydropyran-2-yl]ethyl]phenol
Molecular Mass 312.403 g·mol−1
Heat of Formation -430.5 ± 16.7 kJ·mol−1
Dipole Moment 1.81 ± 1.08 D
Volume 398.1 Å 3
Surface Area 354.62 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 0.16 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[2-[(2r,6s)-6-(4-methoxyphenyl)-2-tetrahydropyranyl]ethyl]phenol
  • 4-[2-[(2r,6s)-6-(4-methoxyphenyl)oxan-2-yl]ethyl]phenol
  • 4-[2-[(2r,6s)-6-(4-methoxyphenyl)tetrahydropyran-2-yl]ethyl]phenol
  • centrolobine
CAS Number(s)
  • 1484-91-9
InChIKey VKLGDLFSGNHXAV-UXHICEINSA-N
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