phenelfamycin E

More details:

• Systematic name

  (2E,4E,6E)-7-{(2S,3S,5R)-5-[(2S,3S,4E,6E)-8-{[(2S)-2-[(2R,3R,4R,6S)-2,4-Dihydroxy-5,5-dimethyl-6-[(1E,3Z)-1,3-pentadien-1-yl]-3-(2-phenylacetoxy)tetrahydro-2H-pyran-2-yl]-3-{[(2R,4S,5R,6S)-5-{[(2R,4R, 5S,6S)-5-{[(2S,4S,5R,6S)-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}propanoyl]amino}-3-met hoxy-4-methyl-4,6-octadien-2-yl]-3-hydroxytetrahydro-2-furanyl}-2,4,6-heptatrienoic acid (non-preferred name)

• SMILES

  C/C=C\C=C\[C@H]1C([C@H]([C@H]([C@](O1)([C@H](CO[C@H]2C[C@@H]([C@@H]([C@@H](O2)C)O[C@@H]3C[C@H]([C@H]([C@@H](O3)C)O[C@H]4C[C@@H]([C@@H]([C@@H](O4)C)O)OC)OC)OC)C(=O)NC/C=C/C=C(\C)/[C@H]([C@@H](C)[C@H]5C[C@@H]([C@@H](O5)/C=C/C=C/C=C/C(=O)O)O)OC)O)OC(=O)Cc6ccccc6)O)(C)C

• Std. InChi

  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

• Std. InChIKey

  UDVVGDCMWCVRCO-WOPDTIQPSA-N

• Cite this record

  CSID:34984771, http://www.chemspider.com/Chemical-Structure.34984771.html (accessed 17:55, Apr 23, 2024)