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Substance Name: Cycloviracin B1
RN: 142382-45-4
InChIKey: UHXMKKIXCMBBAY-UKGVZLGJSA-N

Note

  • Isolated from Kibdelosporangium albatum.

Molecular Formula

  • C83-H152-O33

Molecular Weight

  • 1678.08
 
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Names and Synonyms

Name of Substance

  • Cycloviracin B1

Synonyms

  • 3-(16,22-Bis((2-O-methyl-beta-D-glucopyranosyl)oxy)tricosyl)-9,10,11,20,21,22-hexahydroxy-14-(20-hydroxy-14-((2-O-methyl-beta-D-glucopyranosyl)oxy)heneicosyl)-2,6,13,17,23,24-hexaoxatricyclo(17.3.1.1(8,12))tetracosane-5,16-dione
  • BU 4224V-B1
  • Cycloviracin-B1

Systematic Name

  • 2,6,13,17,23,24-Hexaoxatricyclo(17.3.1.1(8,12))tetracosane-5,16-dione, 3-(16,22-bis((2-O-methyl-beta-D-glucopyranosyl)oxy)tricosyl)-9,10,11,20,21,22-hexahydroxy-14-(20-hydroxy-14-((2-O-methyl-beta-D-glucopyranosyl)oxy)heneicosyl)-

Registry Numbers

CAS Registry Number

  • 142382-45-4

System Generated Number

  • 0142382454

Structure Descriptors

InChI

1S/C83H152O33/c1-51(87)36-28-26-34-40-53(108-82-77(103-4)72(98)65(91)58(47-85)113-82)38-30-22-19-15-12-9-13-17-21-25-33-43-56-45-63(89)106-50-60-67(93)69(95)74(100)79(115-60)110-55(44-62(88)105-49-61-68(94)70(96)75(101)80(111-56)116-61)42-32-24-20-16-11-8-6-7-10-14-18-23-31-39-54(109-83-78(104-5)73(99)66(92)59(48-86)114-83)41-35-27-29-37-52(2)107-81-76(102-3)71(97)64(90)57(46-84)112-81/h51-61,64-87,90-101H,6-50H2,1-5H3/t51?,52?,53?,54?,55?,56?,57-,58-,59-,60?,61?,64-,65-,66-,67?,68?,69?,70?,71+,72+,73+,74?,75?,76-,77-,78-,79?,80?,81-,82-,83-/m1/s1

InChIKey

UHXMKKIXCMBBAY-UKGVZLGJSA-N

Smiles

O1[C@@H]2[C@@H]([C@@H]([C@@H]([C@@H](COC(C[C@@H](O[C@@H]3[C@@H]([C@@H]([C@@H]([C@@H](COC(C[C@@H]1CCCCCCCCCCCCCCC[C@@H](CCCCC[C@@H](C)O[C@H]1[C@H](OC)[C@@H](O)[C@H](O)[C@H](O1)CO)O[C@H]1[C@H](OC)[C@@H](O)[C@H](O)[C@H](O1)CO)=O)O3)O)O)O)CCCCCCCCCCCCC[C@@H](CCCCC[C@@H](C)O)O[C@H]1[C@H](OC)[C@@H](O)[C@H](O)[C@H](O1)CO)=O)O2)O)O)O