[6-(furan-3-yl)-6,8,12,16,21-pentahydroxy-7,15-dimethyl-9-oxo-3,17,19-trioxaheptacyclo[9.9.3.01,10.02,4.02,7.011,18.015,23]tricosan-14-yl] 2-methylbutanoate (CHEBI:181834)

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CHEBI:181834 - [6-(furan-3-yl)-6,8,12,16,21-pentahydroxy-7,15-dimethyl-9-oxo-3,17,19-trioxaheptacyclo[9.9.3.01,10.02,4.02,7.011,18.015,23]tricosan-14-yl] 2-methylbutanoate

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ChEBI ID	CHEBI:181834
ChEBI Name	[6-(furan-3-yl)-6,8,12,16,21-pentahydroxy-7,15-dimethyl-9-oxo-3,17,19-trioxaheptacyclo[9.9.3.01,10.02,4.02,7.011,18.015,23]tricosan-14-yl] 2-methylbutanoate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C31H40O12
Net Charge	0
Average Mass	604.649
Monoisotopic Mass	604.25198
SMILES	CCC(C)C(=O)OC1CC(O)C23C4OCC5(C(O)CC2C1(C)C(O)O4)C3C(=O)C(O)C1(C)C(O)(c2ccoc2)CC2OC251
InChI	InChI=1S/C31H40O12/c1-5-13(2)23(36)41-18-9-17(33)30-15-8-16(32)28(12-40-25(30)42-24(37)26(15,18)3)21(30)20(34)22(35)27(4)29(38,14-6-7-39-11-14)10-19-31(27,28)43-19/h6-7,11,13,15-19,21-22,24-25,32-33,35,37-38H,5,8-10,12H2,1-4H3
InChIKey	GSAWBDXYMSQMRT-UHFFFAOYSA-N

ChEBI Ontology

Outgoing Relation(s)
	[6-(furan-3-yl)-6,8,12,16,21-pentahydroxy-7,15-dimethyl-9-oxo-3,17,19-trioxaheptacyclo[9.9.3.01,10.02,4.02,7.011,18.015,23]tricosan-14-yl] 2-methylbutanoate (CHEBI:181834) is a limonoid (CHEBI:39434)

IUPAC Name
[6-(uran-3-yl)-6,8,12,16,21-pentahydroxy-7,15-dimethyl-9-oxo-3,17,19-trioxaheptacyclo[9.9.3.01,10.02,4.02,7.011,18.015,23]tricosan-14-yl] 2-methylbutanoate

Manual Xrefs	Databases
22370249	ChemSpider