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Substance Name: LL-D49194beta2
RN: 99743-21-2
InChIKey: OBHSZXSXLFIRJG-UHFFFAOYSA-N

Note

  • From Streptomyces vinaceus-drappus.

Molecular Formula

  • C46-H62-O21

Molecular Weight

  • 950.975
 
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Names and Synonyms

Name of Substance

  • LL-D49194beta2

Synonym

  • LL D49194beta 2

Systematic Name

  • Trioxacarcin A, 4'-O-deacetyl-13-O-de(4-C-acetyl-2,6-dideoxy-alpha-L-xylo-hexopyranosyl)-16-O-demethyl-16-O-(2,6-dideoxy-4-O-(2,6-didexoy-3-C-methyl-alpha-L-xylo-hexopyranosyl)-3-C-methyl-alpha-L-xylo-hexopyranosyl)-13-O-methyl-

Registry Numbers

CAS Registry Number

  • 99743-21-2

System Generated Number

  • 0099743212

Structure Descriptors

InChI

1S/C46H62O21/c1-17-11-21-28(32(49)30-29(33(21)55-8)23(12-22(47)31(30)48)62-24-13-41(5,52)36(50)18(2)59-24)34-27(17)35-39-45(57-10,65-34)44(16-58-44)46(66-35,67-39)40(56-9)64-26-15-43(7,54)38(20(4)61-26)63-25-14-42(6,53)37(51)19(3)60-25/h11,18-20,22-26,35-40,47,49-54H,12-16H2,1-10H3

InChIKey

OBHSZXSXLFIRJG-UHFFFAOYSA-N

Smiles

C1[C@@]2([C@@]3(OC)Oc4c([C@@H]5[C@@H]3O[C@@]2(O5)[C@@H](O[C@@H]2O[C@@H]([C@@H](O[C@@H]3C[C@@](C)(O)[C@@H](O)[C@@H](C)O3)[C@@](C2)(C)O)C)OC)c(cc2c4c(c3c(c2OC)[C@@H](C[C@@H](C3=O)O)O[C@@H]2O[C@@H]([C@@H]([C@@](C2)(O)C)O)C)O)C)O1