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Substance Name: BRN 4648189
RN: 91887-42-2
InChIKey: DTSNPHHZGFOXMU-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C49-H64-N2-O22

Molecular Weight

  • 1033.0366
 
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Names and Synonyms

Results Name

  • BRN 4648189

Synonym

  • BRN 4648189

Systematic Name

  • 2,6-Epoxy-2H-naphthaceno(1,2-b)oxocin-14-carboxylic acid, 11-((2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl)oxy)-5-((2,6-dideoxy-4-O-(2,3,6-trideoxy-3-C-methyl-3-nitro-beta-L-ribo-hexopyranosyl)-alpha-L-lyxo-hexopyranosyl)oxy)-4-(dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-3,8,10,13-tetrahydroxy-6,13-dimethyl-9,16-dioxo-, methyl ester, (2R-(2-alpha,3-beta,4-alpha,5-alpha,6-alpha,11-beta,13-alpha,14-alpha))-

Registry Numbers

CAS Registry Number

  • 91887-42-2

System Generated Number

  • 0091887422

Structure Descriptors

InChI

1S/C49H64N2O22/c1-17-36(54)25(64-9)14-28(66-17)69-26-15-48(5,61)34(45(60)65-10)20-11-21-31(38(56)30(20)26)39(57)32-23(52)12-22-42(33(32)37(21)55)72-46-40(58)35(50(7)8)44(49(22,6)73-46)71-27-13-24(53)41(18(2)67-27)70-29-16-47(4,51(62)63)43(59)19(3)68-29/h11-12,17-19,24-29,34-36,40-41,43-44,46,52-54,56,58-59,61H,13-16H2,1-10H3

InChIKey

DTSNPHHZGFOXMU-UHFFFAOYSA-N

Smiles

COC1CC(OC2CC(C)(O)C(C(=O)OC)c3cc4C(=O)c5c6OC7OC(C)(C(OC8CC(O)C(OC9CC(C)(C(O)C(C)O9)[N+](=O)[O-])C(C)O8)C(C7O)N(C)C)c6cc(O)c5C(=O)c4c(O)c23)OC(C)C1O