Metachromin B

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Formula C23H32O4
IUPAC Name (2s)-2-[2-[(1r,3r)-1,3-dimethyl-2-methylene-cyclohexyl]ethyl]-6,8-dimethoxy-2-methyl-chromen-5-ol
Molecular Mass 372.498 g·mol−1
Heat of Formation -624.9 ± 16.7 kJ·mol−1
Dipole Moment 3.41 ± 1.08 D
Volume 473.12 Å 3
Surface Area 364.79 Å 2
HOMO Energy -7.90 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[2-[(1r,3r)-1,3-dimethyl-2-methylene-cyclohexyl]ethyl]-6,8-dimethoxy-2-methyl-chromen-5-ol
  • (2s)-2-[2-[(1r,3r)-1,3-dimethyl-2-methylenecyclohexyl]ethyl]-6,8-dimethoxy-2-methyl-5-chromenol
  • (2s)-2-[2-[(1r,3r)-1,3-dimethyl-2-methylidene-cyclohexyl]ethyl]-6,8-dimethoxy-2-methyl-chromen-5-ol
  • (2s)-2-[2-[(1r,3r)-1,3-dimethyl-2-methylidenecyclohexyl]ethyl]-6,8-dimethoxy-2-methylchromen-5-ol
InChIKey RHDKGXOTYDFQHO-DURYTUKUSA-N
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