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Substance Name: Vineomycin B2
RN: 80928-52-5
InChIKey: NIXHEPPGVVKFMQ-SVDKGFTASA-N

Molecular Weight

  • 934.979
 
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Names and Synonyms

Name of Substance

  • Vineomycin B2

Synonym

  • OS-4742B2

Systematic Name

  • 2-Anthracenebutanoic acid, 6-(2,6-dideoxy-4-O-(5-((5,6-dihydro-6-methyl-5-oxo-2H-pyran-2-yl)oxy)tetrahydro-6-methyl-2H-pyran-2-yl)-beta-arabino-hexopyranosyl)-beta-((5-((5,6-dihydro-6-methyl-5-oxo-2H-pyran-2-yl)oxy)tetrahydro-6-methyl-2H-pyran-2-yl)oxy)-9,10-dihydro-1,5-dihyd roxy-beta-methyl-9,10-dioxo-

Registry Numbers

CAS Registry Number

  • 80928-52-5

System Generated Number

  • 0080928525

Structure Descriptors

InChI

1S/C49H58O18/c1-22-31(50)11-15-38(60-22)64-34-13-17-40(62-24(34)3)66-48-26(5)59-36(19-33(48)52)28-9-10-30-43(45(28)56)47(58)29-8-7-27(44(55)42(29)46(30)57)20-49(6,21-37(53)54)67-41-18-14-35(25(4)63-41)65-39-16-12-32(51)23(2)61-39/h7-12,15-16,22-26,33-36,38-41,48,52,55-56H,13-14,17-21H2,1-6H3,(H,53,54)/t22-,23-,24-,25-,26+,33+,34-,35-,36+,38-,39-,40-,41-,48+,49+/m0/s1

InChIKey

NIXHEPPGVVKFMQ-SVDKGFTASA-N

Smiles

O1[C@@H](O[C@@H]2[C@@H](O[C@@H](O[C@H]3[C@@H](C[C@@H](O[C@@H]3C)c3ccc4C(c5c(c(C[C@@](CC(O)=O)(O[C@H]6CC[C@@H]([C@@H](C)O6)O[C@H]6C=CC(=O)[C@@H](O6)C)C)ccc5C(c4c3O)=O)O)=O)O)CC2)C)C=CC([C@@H]1C)=O