Methyl 11-(4-((E)-15-(17-(furan-2-yl) ethyl)-28-hydroxy-24-methylhept-22-en-14-yl)-5,6,7,8,9,10,-octahydronaphthalen-7-yl) propanoate (CHEBI:215077)

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CHEBI:215077 - Methyl 11-(4-((E)-15-(17-(furan-2-yl) ethyl)-28-hydroxy-24-methylhept-22-en-14-yl)-5,6,7,8,9,10,-octahydronaphthalen-7-yl) propanoate

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ChEBI ID	CHEBI:215077
ChEBI Name	Methyl 11-(4-((E)-15-(17-(furan-2-yl) ethyl)-28-hydroxy-24-methylhept-22-en-14-yl)-5,6,7,8,9,10,-octahydronaphthalen-7-yl) propanoate
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Submitter	MetaboLights
Downloads	Molfile

Formula	C28H42O4
Net Charge	0
Average Mass	442.640
Monoisotopic Mass	442.30831
SMILES	COC(=O)CCC1=CC2CC(C(/C=C/C(C)C)C(CO)CCc3ccco3)CCC2CC1
InChI	InChI=1S/C28H42O4/c1-20(2)6-14-27(24(19-29)12-13-26-5-4-16-32-26)23-11-10-22-9-7-21(17-25(22)18-23)8-15-28(30)31-3/h4-6,14,16-17,20,22-25,27,29H,7-13,15,18-19H2,1-3H3/b14-6+
InChIKey	ZADAPTFWNJCMNL-MKMNVTDBSA-N

Species of Metabolite	Component	Source	Comments
Bacillus (ncbitaxon:1386)	-	PubMed (28704687)

ChEBI Ontology

Outgoing Relation(s)
	Methyl 11-(4-((E)-15-(17-(furan-2-yl) ethyl)-28-hydroxy-24-methylhept-22-en-14-yl)-5,6,7,8,9,10,-octahydronaphthalen-7-yl) propanoate (CHEBI:215077) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name
methyl 3-[7-[(E)-1-(uran-2-yl)-3-(hydroxymethyl)-7-methyloct-5-en-4-yl]-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]propanoate

Manual Xrefs	Databases
63002625	ChemSpider