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CHEBI:200488 - Carbamidocyclophane B

ChEBI IDCHEBI:200488
ChEBI NameCarbamidocyclophane B
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FormulaC38H55Cl3N2O8
Net Charge0
Average Mass774.223
Monoisotopic Mass772.30240
SMILESC[C@H]1CCCCC(CCCCCl)c2c(O)cc(cc2O)[C@H](OC(N)=O)[C@@H](C)CCCCC(CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@@H]1OC(N)=O
InChIInChI=1S/C38H55Cl3N2O8/c1-22-10-3-5-12-24(14-7-8-17-39)33-28(44)18-26(19-29(33)45)35(50-37(42)48)23(2)11-4-6-13-25(15-9-16-32(40)41)34-30(46)20-27(21-31(34)47)36(22)51-38(43)49/h18-25,32,35-36,44-47H,3-17H2,1-2H3,(H2,42,48)(H2,43,49)/t22-,23-,24?,25?,35+,36+/m0/s1
InChIKeyPXEFELGJKKNAPC-BSSQUUOISA-N
Species of MetaboliteComponentSourceComments
Nostoc (ncbitaxon:1177) - PubMed (17311455)
ChEBI Ontology
Outgoing Relation(s)
Carbamidocyclophane B (CHEBI:200488) is a phenols (CHEBI:33853)
IUPAC Name 
[(2R,3S,13R,14S)-13-carbamoyloxy-8-(4-chlorobutyl)-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
17214516ChemSpider