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Substance Name: Pneumocandin B(0)
RN: 135575-42-7
UNII: BA795CZ3I2
InChIKey: DQXPFAADCTZLNL-YSHLLHMASA-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 B(0)

Synonyms

  • L 688,786
  • L-688,786
  • L-688786
  • Pneumocandin B(0)
  • Pneumocardin B(0)
  • UNII-BA795CZ3I2

Systematic Name

  • Pneumocandin Bo

Registry Numbers

CAS Registry Number

  • 135575-42-7

FDA UNII

  • BA795CZ3I2

System Generated Number

  • 0135575427

Structure Descriptors

InChI

1S/C50H80N8O17/c1-5-25(2)20-26(3)12-10-8-6-7-9-11-13-37(66)52-31-22-35(64)46(71)56-48(73)41-33(62)18-19-57(41)50(75)39(34(63)23-36(51)65)54-47(72)40(43(68)42(67)28-14-16-29(60)17-15-28)55-45(70)32-21-30(61)24-58(32)49(74)38(27(4)59)53-44(31)69/h14-17,25-27,30-35,38-43,46,59-64,67-68,71H,5-13,18-24H2,1-4H3,(H2,51,65)(H,52,66)(H,53,69)(H,54,72)(H,55,70)(H,56,73)/t25?,26?,27-,30+,31-,32-,33-,34-,35+,38-,39-,40-,41-,42-,43-,46+/m0/s1

InChIKey

DQXPFAADCTZLNL-YSHLLHMASA-N

Smiles

C([C@@H](CCCCCCCCC(N[C@@H]1C(N[C@@H]([C@@H](O)C)C(N2[C@H](C(N[C@H](C(N[C@H](C(N3[C@H](C(N[C@@H]([C@@H](C1)O)O)=O)[C@@H](O)CC3)=O)[C@H](CC(=O)N)O)=O)[C@@H]([C@H](c1ccc(O)cc1)O)O)=O)C[C@H](O)C2)=O)=O)=O)C)[C@@H](CC)C