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CHEBI:221728 - Variecoacetal B

ChEBI IDCHEBI:221728
ChEBI NameVariecoacetal B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44O3
Net Charge0
Average Mass428.657
Monoisotopic Mass428.32905
SMILESC=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)C[C@H]4[C@@H](C)C[C@@]5(OCC)O[C@H](OC)/C(=C/C[C@H]3[C@H]12)[C@@H]45
InChIInChI=1S/C28H44O3/c1-8-30-28-15-18(4)21-16-27(6)14-13-26(5)12-11-19(17(2)3)24(26)22(27)10-9-20(23(21)28)25(29-7)31-28/h9,18-19,21-25H,2,8,10-16H2,1,3-7H3/b20-9+/t18-,19+,21-,22-,23-,24-,25-,26-,27+,28+/m0/s1
InChIKeyHWMGYRPZZSXFAX-SLIHOXETSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (11045446)
ChEBI Ontology
Outgoing Relation(s)
Variecoacetal B (CHEBI:221728) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,3R,6S,9S,10S,11S,13E,15S,17R,19S,20R)-17-ethoxy-15-methoxy-3,6,19-trimethyl-9-prop-1-en-2-yl-16-oxapentacyclo[12.5.1.03,11.06,10.017,20]icos-13-ene
Manual XrefsDatabases
8201185ChemSpider