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CHEBI:203438 - Berkleasmin D

ChEBI IDCHEBI:203438
ChEBI NameBerkleasmin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H52O8
Net Charge0
Average Mass564.760
Monoisotopic Mass564.36622
SMILESCCCCCCC(/C=C(\C)[C@@H](O)[C@@H](C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)CC3=C(C)[C@H](OC)O[C@]3(OC)[C@H]3O[C@@]312)CO
InChIInChI=1S/C32H52O8/c1-9-10-11-12-13-23(18-33)16-19(2)26(34)22(5)27(35)38-25-15-14-20(3)30(6)17-24-21(4)28(36-7)39-32(24,37-8)29-31(25,30)40-29/h16,20,22-23,25-26,28-29,33-34H,9-15,17-18H2,1-8H3/b19-16+/t20-,22+,23?,25+,26+,28+,29-,30+,31+,32-/m0/s1
InChIKeyOMFJTIUQBUXYGZ-SLKHCHPISA-N
Species of MetaboliteComponentSourceComments
Berkleasmium (ncbitaxon:358867) - DOI (10.1016/j.tet.2009.08.077)
ChEBI Ontology
Outgoing Relation(s)
Berkleasmin D (CHEBI:203438) is a naphthofuran (CHEBI:39270)
IUPAC Name 
[(1R,3S,4S,6R,10R,11S,14R)-4,6-dimethoxy-7,10,11-trimethyl-2,5-dioxatetracyclo[8.4.0.01,3.04,8]tetradec-7-en-14-yl] (E,2R,3S)-3-hydroxy-6-(hydroxymethyl)-2,4-dimethyldodec-4-enoate
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78437014ChemSpider