(1R,2R,3S,6S,7S,9S,10S,11S,12R,13S,14R)-2,6,9,11,13,14-Hexahydroxy-11-Isopropyl-3,7,10-Trimethyl-15-Oxapentacyclo[7.5.1.0~1,6~.0~7,13~.0~10,14~]Pentadec-12-Yl 1H-Pyrrole-2-Carboxylate

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Formula C22H35NO9
IUPAC Name (1r,2r,3s,6s,7s,9s,10s,11s,12r,13s,14r)-2,6,9,11,13,14-hexahydroxy-11-isopropyl-3,7,10-trimethyl-15-oxapentacyclo[7.5.1.0 1,6 .0 7,13 .0 10,14 ]pentadec-12-yl 1h-pyrrole-2-carboxylate
Molecular Mass 457.515 g·mol−1
Heat of Formation -1648.0 ± 16.7 kJ·mol−1
Dipole Moment 4.73 ± 1.08 D
Volume 547.85 Å 3
Surface Area 396.06 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -0.46 ± eV
Point Group Symmetry C1
Synonyms
  • ryanodine
CAS Number(s)
  • 15662-33-6
InChIKey JJSYXNQGLHBRRK-YSOSZROBSA-N
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