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Substance Name: Pneumocandin C(0)
RN: 144074-96-4
InChIKey: IPMHTGKXJQHTQV-YWVCOZMLSA-N

Note

  • Isolated from Zalerion arboricola.

Molecular Formula

  • C50-H80-N8-O17

Molecular Weight

  • 1065.22
 
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Names and Synonyms

Name of Substance

  • Pneumocandin C(0)

Synonym

  • Pneumocandin C0

Systematic Name

  • Pneumocandin Bo, 6-(trans-4-hydroxy-L-proline)-

Registry Numbers

CAS Registry Number

  • 144074-96-4

System Generated Number

  • 0144074964

Structure Descriptors

InChI

1S/C50H80N8O17/c1-5-25(2)18-26(3)12-10-8-6-7-9-11-13-38(66)52-32-21-36(64)47(72)56-46(71)34-20-31(62)24-58(34)50(75)40(35(63)22-37(51)65)54-48(73)41(43(68)42(67)28-14-16-29(60)17-15-28)55-45(70)33-19-30(61)23-57(33)49(74)39(27(4)59)53-44(32)69/h14-17,25-27,30-36,39-43,47,59-64,67-68,72H,5-13,18-24H2,1-4H3,(H2,51,65)(H,52,66)(H,53,69)(H,54,73)(H,55,70)(H,56,71)/t25?,26?,27-,30-,31-,32?,33+,34+,35-,36+,39+,40+,41+,42-,43?,47-/m1/s1

InChIKey

IPMHTGKXJQHTQV-YWVCOZMLSA-N

Smiles

N12C([C@@H](NC([C@@H](NC([C@H]3N(C(=O)[C@@H](NC([C@H](C[C@@H]([C@H](NC([C@@H]1C[C@H](C2)O)=O)O)O)NC(=O)CCCCCCCC[C@@H](C[C@@H](CC)C)C)=O)[C@H](O)C)C[C@@H](C3)O)=O)[C@H]([C@@H](c1ccc(O)cc1)O)O)=O)[C@@H](CC(=O)N)O)=O