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Substance Name: Pyrooxonine
RN: 1360-73-2
InChIKey: WWSOFHSRBHJMSO-HWUXQMLISA-N

Molecular Formula

  • C24-H35-N-O9

Molecular Weight

  • 481.5385
 
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Names and Synonyms

Results Name

  • Pyrooxonine

Synonym

  • Pyrooxonine

Systematic Name

  • Aconitane-20-carboxaldehyde, 3,13,14-trihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-15-oxo-, (1alpha,3alpha,6alpha,14alpha,16beta)-

Registry Numbers

CAS Registry Number

  • 1360-73-2

System Generated Number

  • 0001360732

Structure Descriptors

InChI

1S/C24H35NO9/c1-31-8-22-7-25(9-26)19-15-14-13-10(6-23(30,20(13)29)21(34-4)16(14)28)24(19,18(22)17(15)33-3)12(32-2)5-11(22)27/h9-15,17-21,27,29-30H,5-8H2,1-4H3/t10-,11-,12?,13+,14+,15+,17?,18-,19-,20-,21+,22+,23-,24+/m1/s1

InChIKey

WWSOFHSRBHJMSO-HWUXQMLISA-N

Smiles

[C@]123[C@@H]4[C@@H]([C@@H]5[C@@H]6[C@H]1C[C@@]([C@@H]6O)([C@H](C5=O)OC)O)[C@@H]([C@@H]2[C@](CN4C=O)([C@@H](C[C@@H]3OC)O)COC)OC