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CHEBI:222570 - Variecoacetal A

ChEBI IDCHEBI:222570
ChEBI NameVariecoacetal A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42O3
Net Charge0
Average Mass414.630
Monoisotopic Mass414.31340
SMILESC=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)C[C@H]4[C@@H](C)C[C@@]5(OC)O[C@H](OC)/C(=C/C[C@H]3[C@H]12)[C@@H]45
InChIInChI=1S/C27H42O3/c1-16(2)18-10-11-25(4)12-13-26(5)15-20-17(3)14-27(29-7)22(20)19(24(28-6)30-27)8-9-21(26)23(18)25/h8,17-18,20-24H,1,9-15H2,2-7H3/b19-8+/t17-,18+,20-,21-,22-,23-,24-,25-,26+,27+/m0/s1
InChIKeyYYCGJHMXNRCONF-HKMPXQLFSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (11045446)
ChEBI Ontology
Outgoing Relation(s)
Variecoacetal A (CHEBI:222570) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,3R,6S,9S,10S,11S,13E,15S,17R,19S,20R)-15,17-dimethoxy-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
8245963ChemSpider