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Substance Name: Ganefromycin component (alpha)
RN: 114451-31-9
UNII: 4PU25GRT71
InChIKey: UDVVGDCMWCVRCO-WOPDTIQPSA-N

Note

  • Isolated from Streptomyces.

Molecular Weight

  • 1226.4515
 
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Names and Synonyms

Name of Substance

  • Ganefromycin component (alpha)
  • Phenelfamycin E

Synonym

  • UNII-4PU25GRT71

Systematic Name

  • (2E,4E,6E)-7-((2R*,3R*,5R*)-5-(7-((3E,5E)-3-((O-2,6-Dideoxy-3-O-methyl-alpha-lyxo-hexopyranosyl-(1->4)-O-2,6-dideoxy-3-O-methyl-beta-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-alpha-lyxo-hexopyranosyl)oxy)-2-((2S*,3S*,4S*,6R*)-tetrahydro-2,3,4-trihydroxy-5,5-dimethyl-6-((1E,3Z)-1,3-pentadienyl)-2H-pyran-2-yl)propionamido)-2-methoxy-1,3-dimethyl-3,5-heptadienyl)tetrahydro-3-hydroxy-2-furyl)-2,4,6-heptatrienoic acid, 2(sup 3)-phenylacetate

Registry Numbers

CAS Registry Number

  • 114451-31-9

FDA UNII

  • 4PU25GRT71

System Generated Number

  • 0114451319

Structure Descriptors

InChI

1S/C65H95NO21/c1-13-14-18-29-51-64(7,8)61(72)62(84-53(70)32-43-26-19-17-20-27-43)65(74,87-51)44(63(73)66-31-24-23-25-38(2)58(78-12)39(3)47-33-45(67)46(83-47)28-21-15-16-22-30-52(68)69)37-79-54-35-49(76-10)59(41(5)81-54)86-56-36-50(77-11)60(42(6)82-56)85-55-34-48(75-9)57(71)40(4)80-55/h13-30,39-42,44-51,54-62,67,71-72,74H,31-37H2,1-12H3,(H,66,73)(H,68,69)/b14-13-,16-15+,24-23+,28-21+,29-18+,30-22+,38-25+/t39-,40-,41-,42-,44+,45-,46-,47+,48-,49-,50+,51-,54+,55-,56+,57+,58+,59+,60-,61-,62+,65+/m0/s1

InChIKey

UDVVGDCMWCVRCO-WOPDTIQPSA-N

Smiles

CO[C@@H]([C@@H](C)[C@H]1C[C@H](O)[C@@H](O1)\C=C\C=C\C=C\C(=O)O)\C(=C\C=C\CNC(=O)[C@@H](CO[C@H]2C[C@H](OC)[C@H](O[C@@H]3C[C@@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)[C@@]5(O)O[C@@H](\C=C\C=C/C)C(C)(C)[C@@H](O)[C@H]5OC(=O)Cc6ccccc6)\C