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Substance Name: Calonyctin A-2b
RN: 151864-97-0
InChIKey: YMZMABJWBKTPSA-PGQLVXIPSA-N

Note

  • One of two components of calonyctin A.

Molecular Formula

  • C43-H74-O20

Molecular Weight

  • 911.038
 
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Names and Synonyms

Name of Substance

  • Calonyctin A-2b

Synonym

  • DC-2b

Systematic Name

  • Tetradecanoic acid, 11-((O-6-deoxy-3-O-(3-hydroxy-2-methyl-1-oxobutyl)-beta-D-glucopyranosyl-(1-3)-O-(6-deoxy-alpha-L-mannopyranosyl-(1-2))-O-6-deoxy-beta-D-glucopyranosyl-(1-2)-6-deoxy-beta-D-glucopyranosyl)oxy)-, intramol 1,2'''-ester

Registry Numbers

CAS Registry Number

  • 151864-97-0

System Generated Number

  • 0151864970

Structure Descriptors

InChI

1S/C43H74O20/c1-18(2)25-16-14-12-10-9-11-13-15-17-26(45)59-37-34(60-39(53)19(3)20(4)44)29(48)23(7)56-42(37)61-35-30(49)24(8)57-43(62-36-32(51)28(47)22(6)55-41(36)58-25)38(35)63-40-33(52)31(50)27(46)21(5)54-40/h18-25,27-38,40-44,46-52H,9-17H2,1-8H3/t19?,20?,21-,22-,23-,24-,25?,27+,28-,29-,30-,31-,32+,33-,34+,35?,36-,37?,38+,40+,41+,42+,43?/m1/s1

InChIKey

YMZMABJWBKTPSA-PGQLVXIPSA-N

Smiles

O[C@H]1[C@@H]([C@@H]2[C@@H](O[C@@H]1C)O[C@@H]1[C@H](O[C@H]3[C@@H]([C@@H]([C@H]([C@H](O3)C)O)O)O)[C@@H](O[C@H]3[C@H](O[C@@H](CCCCCCCCCC(O2)=O)C(C)C)O[C@H](C)[C@H]([C@@H]3O)O)O[C@@H](C)[C@H]1O)OC(=O)[C@@H]([C@@H](O)C)C