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Substance Name: Obelmycin E
RN: 107826-17-5
InChIKey: DEMGNRGNMQOOAO-UHFFFAOYSA-N

Note

  • A gamma isorhodomycinone glycoside from Strptomyces violaceus.

Molecular Weight

  • 771.852
 
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Names and Synonyms

Name of Substance

  • Obelmycin E

Systematic Name

  • 5,12-Naphthacenedione, 8-ethyl-7,8,9,10-tetrahydro-1,4,6,8,11-pentahydroxy-7-((2,3,6-trideoxy-3-(dimethylamino)-4-O-((2S-(2alpha,5beta(2R*,5R*,6R*),6beta))-tetrahydro-6-methyl-5-((tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)oxy)-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosy)oxy)-

Registry Numbers

CAS Registry Number

  • 107826-17-5

System Generated Number

  • 0107826175

Structure Descriptors

InChI

1S/C40H53NO14/c1-7-40(49)15-14-20-29(35(46)33-32(34(20)45)36(47)30-23(43)8-9-24(44)31(30)37(33)48)39(40)55-28-16-21(41(5)6)38(19(4)52-28)54-27-13-11-25(18(3)51-27)53-26-12-10-22(42)17(2)50-26/h8-9,17-19,21-22,25-28,38-39,42-46,49H,7,10-16H2,1-6H3

InChIKey

DEMGNRGNMQOOAO-UHFFFAOYSA-N

Smiles

C1[C@@H](O[C@@H](C)[C@@H](O)C1)O[C@@H]1CC[C@@H](O[C@@H]2[C@@H](N(C)C)C[C@@H](O[C@@H]2C)O[C@@H]2c3c(c4C(c5c(ccc(c5C(c4c(c3CC[C@@]2(O)CC)O)=O)O)O)=O)O)O[C@@H]1C