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CHEBI:215279 - Gargalol C

ChEBI IDCHEBI:215279
ChEBI NameGargalol C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42O4
Net Charge0
Average Mass442.640
Monoisotopic Mass442.30831
SMILESCC(C)C(C)C=CC(C)C1CCC2(O)C3=C(CCC12C)[C@]1(C)CCC(O)C[C@]12O[C@@H]2C3=O
InChIInChI=1S/C28H42O4/c1-16(2)17(3)7-8-18(4)20-11-14-27(31)22-21(10-13-25(20,27)5)26(6)12-9-19(29)15-28(26)24(32-28)23(22)30/h7-8,16-20,24,29,31H,9-15H2,1-6H3/t17?,18?,19?,20?,24-,25?,26+,27?,28-/m1/s1
InChIKeyOEDKYCMBXKTOPW-RBVIVZJYSA-N
Species of MetaboliteComponentSourceComments
Grifola gargal (ncbitaxon:702737) - DOI (10.1016/j.tet.2011.05.091)
ChEBI Ontology
Outgoing Relation(s)
Gargalol C (CHEBI:215279) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(2S,7S,9S)-15-(5,6-dimethylhept-3-en-2-yl)-5,12-dihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-1(11)-en-10-one