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Substance Name: Heneicomycin
RN: 66170-37-4
InChIKey: VKGDSUWMXCVJEA-ZODLGNRVSA-N

Note

  • Structurally related to efrotomycin, mocimycin & goldinomycin.

Molecular Formula

  • C44-H62-N2-O11

Molecular Weight

  • 794.9768
 
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Names and Synonyms

Name of Substance

  • Heneicomycin

Synonyms

  • 30-Deoxy-1-methylmocimycin
  • A21A
  • Antibiotic A 21A

Systematic Names

  • 2H-Pyran-2-acetamide, N-((2E,4E,6S,7R)-7-((2S,3S,4R,5R)-5-((1E,3E,5E)-7-(1,2-dihydro-4-hydroxy-1-methyl-2-oxo-3-pyridinyl)-6-methyl-7-oxo-1,3,5-heptatrienyl)tetrahydro-3,4-dihydroxy-2-furanyl)-6-methoxy-5-methyl-2,4-octadienyl)-alpha-ethyltetrahydro-2,4-dihydroxy-5,5-dimethyl-6-((1E,3Z)-1,3-pentadienyl)-, (alphaS,2S,4S,6S)-
  • 2H-Pyran-2-acetamide, N-(7-(5-(7-(1,2-dihydro-4-hydroxy-1-methyl-2-oxo-3-pyridinyl)-6-methyl-7-oxo-1,3,5-heptatrienyl)tetrahydro-3,4-dihydroxy-2-furanyl)-6-methoxy-5-methyl-2,4-octadienyl)-alpha-ethyltetrahydro-2,4-dihydroxy-5,5-dimethyl-6-(1,3-pentadienyl)-, (2S-(2alpha,2(R*(2E,4E,6R*,7S*(2R*,3R*,4S*,5S*(1E,3E,5E)))),4beta,6beta(1E,3E)))-
  • Mocimycin, 30-deoxy-1-methyl-

Registry Numbers

CAS Registry Number

  • 66170-37-4

System Generated Number

  • 0066170374

Structure Descriptors

InChI

1S/C44H62N2O11/c1-10-12-14-22-34-43(6,7)33(48)26-44(54,57-34)30(11-2)41(52)45-24-18-17-20-28(4)39(55-9)29(5)40-38(51)37(50)32(56-40)21-16-13-15-19-27(3)36(49)35-31(47)23-25-46(8)42(35)53/h10,12-23,25,29-30,32-34,37-40,47-48,50-51,54H,11,24,26H2,1-9H3,(H,45,52)/b12-10+,15-13+,18-17+,21-16+,22-14+,27-19+,28-20+/t29-,30-,32-,33+,34+,37+,38+,39-,40+,44+/m1/s1

InChIKey

VKGDSUWMXCVJEA-ZODLGNRVSA-N

Smiles

CC[C@H](C(=O)NC/C=C/C=C(\C)/[C@H]([C@@H](C)[C@H]1[C@H]([C@H]([C@H](O1)/C=C/C=C/C=C(\C)/C(=O)c2c(ccn(c2=O)C)O)O)O)OC)[C@@]3(C[C@@H](C([C@@H](O3)/C=C/C=C/C)(C)C)O)O