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Substance Name: Triptonine A
RN: 168009-84-5
InChIKey: GHLDKPNDMMVFDQ-ZTKNCJCHSA-N

Molecular Formula

  • C45-H55-N-O21

Molecular Weight

  • 945.9155
 
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Names and Synonyms

Synonym

  • Triptonine A

Systematic Name

  • Triptonine A

Registry Numbers

CAS Registry Number

  • 168009-84-5

System Generated Number

  • 0168009845

Structure Descriptors

InChI

1S/C45H55NO21/c1-19-13-14-28(51)27(16-29(52)58-10)41(56)60-18-44-36(63-24(6)49)32(65-38(19)53)30-34(62-23(5)48)45(44)43(9,57)35(33(61-22(4)47)37(44)64-25(7)50)66-39(54)21(3)20(2)31-26(12-11-15-46-31)40(55)59-17-42(30,8)67-45/h11-12,15,19-21,27,30,32-37,57H,13-14,16-18H2,1-10H3/t19-,20-,21-,27+,30+,32+,33-,34+,35-,36+,37-,42-,43-,44+,45-/m0/s1

InChIKey

GHLDKPNDMMVFDQ-ZTKNCJCHSA-N

Smiles

C[C@H]1CCC(=O)[C@H](C(=O)OC[C@]23[C@@H]([C@@H]([C@@H]4[C@H]([C@]25C([C@H]([C@@H]([C@@H]3OC(=O)C)OC(=O)C)OC(=O)[C@H]([C@@H](c6c(cccn6)C(=O)OC[C@@]4(O5)C)C)C)(C)O)OC(=O)C)OC1=O)OC(=O)C)CC(=O)OC