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Substance Name: Methylprotogracillin
RN: 54522-53-1
InChIKey: LOSNTJHBTWBJCC-OOVOOHTRSA-N

Molecular Weight

  • 1079.23
 
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Names and Synonyms

Synonym

  • CCRIS 4126

Systematic Name

  • Methylprotogracillin

Registry Numbers

CAS Registry Number

  • 54522-53-1

System Generated Number

  • 0054522531

Structure Descriptors

InChI

1S/C52H86O23/c1-21(20-67-46-41(63)39(61)35(57)30(17-53)70-46)9-14-52(66-6)22(2)33-29(75-52)16-28-26-8-7-24-15-25(10-12-50(24,4)27(26)11-13-51(28,33)5)69-49-45(74-47-42(64)38(60)34(56)23(3)68-47)44(37(59)32(19-55)72-49)73-48-43(65)40(62)36(58)31(18-54)71-48/h7,21-23,25-49,53-65H,8-20H2,1-6H3/t21-,22+,23+,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+,52-/m1/s1

InChIKey

LOSNTJHBTWBJCC-OOVOOHTRSA-N

Smiles

C(O)[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O[C@@H]2[C@@H](O[C@@H]3O[C@H]([C@@H]([C@H]([C@H]3O)O)O)C)[C@@H](O[C@@H]([C@H]2O)CO)O[C@@H]2CC=3[C@](C)(CC2)[C@@H]2[C@@H](CC3)[C@H]3[C@@](CC2)([C@H]2[C@H](C)[C@](OC)(O[C@@H]2C3)CC[C@H](CO[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)C)C)O1