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Substance Name: Commersonine
RN: 60776-42-3
InChIKey: JNFOOEMBPCLHEP-NLRYXJPGSA-N

Molecular Weight

  • 1048.22
 
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Names and Synonyms

  • Commersonine

Registry Numbers

CAS Registry Number

  • 60776-42-3

System Generated Number

  • 0060776423

Structure Descriptors

InChI

1S/C51H85NO21/c1-20-5-8-27-21(2)33-28(52(27)15-20)14-26-24-7-6-22-13-23(9-11-50(22,3)25(24)10-12-51(26,33)4)66-46-42(65)39(62)43(32(19-56)70-46)71-49-45(73-48-41(64)38(61)35(58)30(17-54)68-48)44(36(59)31(18-55)69-49)72-47-40(63)37(60)34(57)29(16-53)67-47/h20-49,53-65H,5-19H2,1-4H3/t20-,21+,22-,23-,24+,25-,26-,27+,28-,29+,30+,31+,32+,33-,34+,35+,36+,37-,38-,39+,40+,41+,42+,43-,44-,45+,46+,47-,48-,49-,50-,51-/m0/s1

InChIKey

JNFOOEMBPCLHEP-NLRYXJPGSA-N

Smiles

C1[C@@H](C[C@H]2[C@@](C1)(C)[C@@H]1[C@@H](CC2)[C@H]2[C@](C)(CC1)[C@H]1[C@@H]([C@@H]3[N@@](C[C@H](CC3)C)[C@@H]1C2)C)O[C@H]1[C@@H]([C@@H](O)[C@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O