(2S)-7-(Hydroxymethyl)-2-(2-Hydroxy-2-Propanyl)-4-Methoxy-2,3-Dihydro-5H-Furo[3,2-G]Chromen-5-One

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Properties Simple | Detailed

Formula C16H18O6
IUPAC Name (2s)-7-(hydroxymethyl)-2-(1-hydroxy-1-methyl-ethyl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one
Molecular Mass 306.311 g·mol−1
Heat of Formation -906.7 ± 16.7 kJ·mol−1
Dipole Moment 4.57 ± 1.08 D
Volume 347.12 Å 3
Surface Area 309.97 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-(1-hydroxy-1-methyl-ethyl)-4-methoxy-7-methylol-2,3-dihydrofuro[3,2-g]chromen-5-one
  • (2s)-7-(hydroxymethyl)-2-(1-hydroxy-1-methyl-ethyl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one
  • (2s)-7-(hydroxymethyl)-2-(1-hydroxy-1-methylethyl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one
  • (2s)-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one
  • cimifugin
CAS Number(s)
  • 37921-38-3
InChIKey ATDBDSBKYKMRGZ-ZDUSSCGKSA-N
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