(3β,22S,25S)-22,25-Epoxyfurost-5-En-3,26-Diol

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Properties Simple | Detailed

Formula C27H42O4
IUPAC Name (1s,2s,4s,5's,6s,7s,8r,9s,12s,13r,16s)-5'-(hydroxymethyl)-5',7,9,13-tetramethyl-spiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-tetrahydrofuran]-16-ol
Molecular Mass 430.620 g·mol−1
Heat of Formation -973.7 ± 16.7 kJ·mol−1
Dipole Moment 2.18 ± 1.08 D
Volume 548.9 Å 3
Surface Area 418.23 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy 1.17 ± eV
Point Group Symmetry C1
Synonyms
  • (20s,22s,25s)-22,25-epoxyfurost-5-ene-3beta,26-diol
  • (22s,25s)-22,25-epoxyfurost-5-ene-3beta,26-diol
  • nuatigenin
CAS Number(s)
  • 6811-35-4
InChIKey NELZMZLNTYWIPD-MLBSDYKWSA-N
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