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Substance Name: Ryanodol, 3-(1H-pyrrole-2-carboxylate), (9-alpha)-
RN: 97588-26-6
InChIKey: JJSYXNQGLHBRRK-UXHWTGHCSA-N

Molecular Formula

  • C25-H35-N-O9

Molecular Weight

  • 493.549
 
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Names and Synonyms

Synonyms

  • 9-epi-Ryanodine
  • 9-Epiryanodine

Systematic Name

  • Ryanodol, 3-(1H-pyrrole-2-carboxylate), (9-alpha)-

Registry Numbers

CAS Registry Number

  • 97588-26-6

System Generated Number

  • 0097588266

Structure Descriptors

InChI

1S/C25H35NO9/c1-12(2)22(31)17(34-16(28)14-7-6-10-26-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)8-9-20(18,24)29/h6-7,10,12-13,15,17,26-27,29-33H,8-9,11H2,1-5H3/t13-,15-,17-,18-,19+,20+,21-,22-,23-,24-,25-/m1/s1

InChIKey

JJSYXNQGLHBRRK-UXHWTGHCSA-N

Smiles

[nH]1c(ccc1)C(O[C@@H]1[C@]([C@@]2([C@@]3(O)[C@]1(O)[C@@]1([C@@]4(CC[C@H]([C@H]([C@@]34O[C@@]2(O)C1)O)C)O)C)C)(O)C(C)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 470ug/kg (0.47mg/kg)   Biochemical and Biophysical Research Communications. Vol. 128, Pg. 449, 1985.