Losalen (CHEBI:177843)

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CHEBI:177843 - Losalen

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ChEBI ID	CHEBI:177843
ChEBI Name	Losalen
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C27H36F2O6.C7H6O3
Net Charge	0
Average Mass	632.697
Monoisotopic Mass	632.27969
SMILES	O=C(O)c1ccccc1O.[H][C@@]12C[C@@H](C)[C@](O)(C(=O)COC(=O)C(C)(C)C)[C@@]1(C)C[C@H](O)C1(F)[C@@]3(C)C=CC(=O)C=C3[C@@H](F)C[C@]12[H]
InChI	InChI=1S/C27H36F2O6.C7H6O3/c1-14-9-16-17-11-19(28)18-10-15(30)7-8-24(18,5)26(17,29)20(31)12-25(16,6)27(14,34)21(32)13-35-22(33)23(2,3)4;8-6-4-2-1-3-5(6)7(9)10/h7-8,10,14,16-17,19-20,31,34H,9,11-13H2,1-6H3;1-4,8H,(H,9,10)/t14-,16+,17+,19+,20+,24+,25+,26?,27+;/m1./s1
InChIKey	KSTPLQAJWSYHTP-SAPBVRDASA-N

Species of Metabolite	Component	Source	Comments
Sus scrofa (ncbitaxon:9823)	sausage (ENVO:00002166)	MetaboLights (MTBLS2871)

ChEBI Ontology

Outgoing Relation(s)
	Losalen (CHEBI:177843) is a 21-hydroxy steroid (CHEBI:35344)

IUPAC Name
[2-[(6S,8S,10S,11S,13S,14S,16R,17R)-6,9-diluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2,2-dimethylpropanoate;2-hydroxybenzoic acid

Manual Xrefs	Databases
150028	ChemSpider

Registry Numbers	Sources
CAS:57973-63-4	ChemIDplus