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CHEBI:207256 - Carbamidocyclophane C

ChEBI IDCHEBI:207256
ChEBI NameCarbamidocyclophane C
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FormulaC38H56Cl2N2O8
Net Charge0
Average Mass739.778
Monoisotopic Mass738.34137
SMILESCCCCC1CCCC[C@H](C)[C@@H](OC(N)=O)c2cc(O)c(c(O)c2)C(CCCC(Cl)Cl)CCCC[C@H](C)[C@@H](OC(N)=O)c2cc(O)c1c(O)c2
InChIInChI=1S/C38H56Cl2N2O8/c1-4-5-13-24-14-8-6-11-22(2)36(50-38(42)48)27-20-30(45)34(31(46)21-27)25(16-10-17-32(39)40)15-9-7-12-23(3)35(49-37(41)47)26-18-28(43)33(24)29(44)19-26/h18-25,32,35-36,43-46H,4-17H2,1-3H3,(H2,41,47)(H2,42,48)/t22-,23-,24?,25?,35+,36+/m0/s1
InChIKeyGTNWJJTZQLWLEN-BSSQUUOISA-N
Species of MetaboliteComponentSourceComments
Nostoc (ncbitaxon:1177) - PubMed (17311455)
ChEBI Ontology
Outgoing Relation(s)
Carbamidocyclophane C (CHEBI:207256) is a phenols (CHEBI:33853)
IUPAC Name 
[(2R,3S,13R,14S)-8-butyl-13-carbamoyloxy-19-(4,4-dichlorobutyl)-10,21,24,26-tetrahydroxy-3,14-dimethyl-2-tricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaenyl] carbamate
Manual XrefsDatabases
17214517ChemSpider