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CHEBI:223028 - Tolypocladin J

ChEBI IDCHEBI:223028
ChEBI NameTolypocladin J
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FormulaC37H50ClNO7
Net Charge0
Average Mass656.260
Monoisotopic Mass655.32758
SMILESCC(C)(Cl)[C@H](O)Cc1ccc2c3c(nc2c1)[C@@]1(C)[C@@H](CC[C@@]2(O)[C@@]45O[C@@H]4[C@@H]4O[C@H]([C@H]6OC6(C)C)OC(C)(C)[C@H]4O[C@H]5CC[C@@]21C)C3
InChIInChI=1S/C37H50ClNO7/c1-31(2,38)23(40)16-18-9-10-20-21-17-19-11-14-36(41)34(7,35(19,8)26(21)39-22(20)15-18)13-12-24-37(36)28(45-37)25-27(42-24)32(3,4)46-30(43-25)29-33(5,6)44-29/h9-10,15,19,23-25,27-30,39-41H,11-14,16-17H2,1-8H3/t19-,23+,24-,25+,27-,28+,29+,30-,34+,35+,36-,37-/m0/s1
InChIKeyUUTTYVLFCWEWRZ-JSQXIYQLSA-N
Species of MetaboliteComponentSourceComments
Tolypocladium (ncbitaxon:29909) - PubMed (30702286)
ChEBI Ontology
Outgoing Relation(s)
Tolypocladin J (CHEBI:223028) is a organic heterotricyclic compound (CHEBI:26979)
Tolypocladin J (CHEBI:223028) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,2S,13S,16S,17S,19R,20R,22S,25S,27S)-7-[(2R)-3-chloro-2-hydroxy-3-methylbutyl]-22-[(2S)-3,3-dimethyloxiran-2-yl]-1,2,24,24-tetramethyl-18,21,23,26-tetraoxa-4-azaoctacyclo[14.13.0.02,13.03,11.05,10.017,19.017,27.020,25]nonacosa-3(11),5(10),6,8-tetraen-16-ol
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128442594ChemSpider