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Substance Name: Homohalichondrin B
RN: 101383-39-5
InChIKey: LMZKVILFCFSDGK-UHFFFAOYSA-N

Note

  • Form marine sponge Halichondria okadai; binds the vinca domain of tubulin.

Molecular Weight

  • 1123.33
 
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Names and Synonyms

Name of Substance

  • Homohalichondrin B

Systematic Name

  • Homohalichondrin A, 12,13-dideoxy-

Registry Numbers

CAS Registry Number

  • 101383-39-5

System Generated Number

  • 0101383395

Structure Descriptors

InChI

1S/C61H86O19/c1-26-13-32-7-9-36-27(2)14-34(65-36)11-12-59-23-47-55(79-59)56-57(73-47)58(80-59)54-37(70-56)10-8-33(67-54)15-49(64)74-53-31(6)52-44(69-43(53)16-38(66-32)30(26)5)19-42-46(72-52)22-61(75-42)24-48-51(78-61)29(4)21-60(77-48)20-28(3)50-45(76-60)18-40-41(71-50)17-39(68-40)35(63)25-62/h26,28-29,31-48,50-58,62-63H,2,5,7-25H2,1,3-4,6H3

InChIKey

LMZKVILFCFSDGK-UHFFFAOYSA-N

Smiles

O1[C@@H]2[C@@H]([C@@H](C[C@@]31C[C@@H]([C@@H]1[C@@H](O3)C[C@@]3(O1)C[C@@H]1O[C@@H]4[C@@H]([C@@H]5OC(C[C@@H]6CC[C@@H]7O[C@@H]8[C@@H]9[C@@H]%10O[C@@H]8[C@@H](O[C@@](CC[C@@H]8CC([C@@H](O8)CC[C@@H]8O[C@@H](C([C@@H](C8)C)=C)C[C@@H]5O[C@@H]4C[C@@H]1O3)=C)(C%10)O9)[C@@H]7O6)=O)C)C)C)O[C@@H]1[C@@H](C2)O[C@@H](C1)[C@@H](CO)O