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Substance Name: Altromycin E
RN: 134887-77-7
InChIKey: HUERDIYXSZKKMF-WAAXAXADSA-N

Molecular Formula

  • C46-H57-N-O17

Molecular Weight

  • 897.9185
 
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Names and Synonyms

Name of Substance

  • Altromycin E

Systematic Name

  • D-glycero-D-manno-Octonic acid, 3,7-anhydro-2,8-dideoxy-2-(2-(2,3-dimethyloxiranyl)-7,12-dihydro-11-hydroxy-4,7,12-trioxo-10-(2,3,6-trideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-D-ribo-hexopyranosyl)-3-C-methyl-3-(methylamino)-alpha-L-lyxo-hexopyranosyl)-4H-anthra(1,2-b)pyran-5-yl)-5-O-methyl-, methyl ester

Registry Numbers

CAS Registry Number

  • 134887-77-7

System Generated Number

  • 0134887777

Structure Descriptors

InChI

1S/C45H55NO18/c1-16-32(48)25(56-7)14-28(60-16)63-40-18(3)59-26(15-43(40,5)46)20-10-11-21-29(35(20)51)36(52)30-22(34(21)50)12-23(31-24(47)13-27(62-38(30)31)44(6)19(4)64-44)45(55,42(54)58-9)41-37(53)39(57-8)33(49)17(2)61-41/h10-13,16-19,25-26,28,32-33,37,39-41,48-49,51,53,55H,14-15,46H2,1-9H3/t16-,17-,18+,19?,25+,26-,28-,32-,33-,37+,39-,40-,41+,43+,44?,45?/m1/s1

InChIKey

HUERDIYXSZKKMF-WAAXAXADSA-N

Smiles

CO[C@H]1C[C@@H](O[C@@H]2[C@H](C)O[C@H](C[C@]2(C)N)c3ccc4C(=O)c5cc(c6C(=O)C=C(Oc6c5C(=O)c4c3O)C7(C)OC7C)C(O)([C@H]8O[C@H](C)[C@@H](O)[C@@H](OC)[C@@H]8O)C(=O)OC)O[C@H](C)[C@H]1O