(1R,2R,6S,7S,9S,10S,11S,12R,13S,14R)-2,6,9,11,13,14-Hexahydroxy-11-Isopropyl-7,10-Dimethyl-3-Methylene-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 C25H33NO9
IUPAC Name (1r,2r,6s,7s,9s,10s,11s,12r,13s,14r)-2,6,9,11,13,14-hexahydroxy-11-isopropyl-7,10-dimethyl-3-methylene-15-oxapentacyclo[7.5.1.0 1,6 .0 7,13 .0 10,14 ]pentadec-12-yl 1h-pyrrole-2-carboxylate
Molecular Mass 491.531 g·mol−1
Heat of Formation -1590.1 ± 16.7 kJ·mol−1
Dipole Moment 8.59 ± 1.08 D
Volume 541.97 Å 3
Surface Area 391.16 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 2.32 ± eV
Point Group Symmetry C1
Synonyms
  • 9,21-didehydroryanodine
  • 9,21-didehydroryanodol 3-(1h-pyrrole-2-carboxylate)
  • delta(sup 9,21)-dehydroryanodine
CAS Number(s)
  • 94513-55-0
InChIKey BPFNBBLVUYSFRK-OHEPIYSBSA-N
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