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Isocyclocalamin

Base Information
  • Chemical Name:Isocyclocalamin
  • CAS No.:111004-32-1
  • Molecular Formula:C27H34 O9
  • Molecular Weight:
  • Hs Code.:
  • Wikidata:Q104941300
Isocyclocalamin

Synonyms:Isocyclocalamin;CHEBI:172718;methyl 2-[7-(uran-3-yl)-17-hydroxy-1,8,12,15,15-pentamethyl-5,18-dioxo-3,6,14-trioxapentacyclo[9.7.0.02,4.02,8.012,16]octadecan-13-yl]acetate

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Chemical Property of Isocyclocalamin
Chemical Property:
  • XLogP3:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:9
  • Rotatable Bond Count:4
  • Exact Mass:502.22028266
  • Heavy Atom Count:36
  • Complexity:1020
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MSDS Files:
Useful:
  • Canonical SMILES:CC1(C2C(C(=O)C3(C(C2(C(O1)CC(=O)OC)C)CCC4(C35C(O5)C(=O)OC4C6=COC=C6)C)C)O)C
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