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Substance Name: Ryanodol, 3-(2-(formylamino)-4-oxo-2-butenoate)
RN: 106821-55-0
InChIKey: GQXHXVMGLYGYEW-AUWJEWJLSA-N

Molecular Formula

  • C25-H35-N-O11

Molecular Weight

  • 525.547
 
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Names and Synonyms

  • Ryanodol, 3-(2-(formylamino)-4-oxo-2-butenoate)

Registry Numbers

CAS Registry Number

  • 106821-55-0

System Generated Number

  • 0106821550

Structure Descriptors

InChI

1S/C25H35NO11/c1-12(2)22(33)17(36-16(30)14(7-9-27)26-11-28)23(34)18(4)10-21(32)19(22,5)25(23,35)24(37-21)15(29)13(3)6-8-20(18,24)31/h7,9,11-13,15,17,29,31-35H,6,8,10H2,1-5H3,(H,26,28)/b14-7-

InChIKey

GQXHXVMGLYGYEW-AUWJEWJLSA-N

Smiles

C(\C(O[C@@H]1[C@@](O)(C(C)C)[C@@]2([C@@]3(O)C[C@@]4([C@@]1(O)[C@@]2(O)[C@@]1([C@@H]([C@@H](CC[C@@]41O)C)O)O3)C)C)=O)(NC=O)=C\C=O