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CHEBI:212950 - Strophasterol B

ChEBI IDCHEBI:212950
ChEBI NameStrophasterol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44O4
Net Charge0
Average Mass444.656
Monoisotopic Mass444.32396
SMILESCC(C)C(C)CC1CC[C@@H]([C@@]2(C)CCC3=C(C2=O)[C@@H](O)[C@@H]2O[C@@]24C[C@@H](O)CC[C@]34C)C1C
InChIInChI=1S/C28H44O4/c1-15(2)16(3)13-18-7-8-20(17(18)4)26(5)11-10-21-22(24(26)31)23(30)25-28(32-25)14-19(29)9-12-27(21,28)6/h15-20,23,25,29-30H,7-14H2,1-6H3/t16?,17?,18?,19-,20+,23+,25-,26+,27+,28-/m0/s1
InChIKeyULYVEOOCGBYFBH-DLJLLTRWSA-N
Species of MetaboliteComponentSourceComments
Stropharia rugosoannulata (ncbitaxon:68746) - PubMed (23012134)
ChEBI Ontology
Outgoing Relation(s)
Strophasterol B (CHEBI:212950) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name 
(1R,3S,4R,7R,11R,14S)-7-[(1R)-3-(2,3-dimethylbutyl)-2-methylcyclopentyl]-4,14-dihydroxy-7,11-dimethyl-2-oxatetracyclo[9.4.0.01,3.05,10]pentadec-5(10)-en-6-one
Manual XrefsDatabases
78445178ChemSpider