14-(5-ethyl-6-methylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-ene-5,9-diol (CHEBI:173037)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	14-(5-ethyl-6-methylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-ene-5,9-diol

ChEBI ID	CHEBI:173037

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C29H50O2

Net Charge

Average Mass

430.717

Monoisotopic Mass

430.38108

InChI

InChI=1S/C29H50O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-27,30-31H,7-16H2,1-6H3

InChIKey

SXJVFYZNUGGHRG-UHFFFAOYSA-N

SMILES

OC1C2C3C(C(CC3)C(CCC(C(C)C)CC)C)(CCC2C4(C(=C1)CC(O)CC4)C)C

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in brain (BTO:0000142). of strain C57BL/6J [EFO:0000606] See: MetaboLights Study

ChEBI Ontology
Outgoing	14-(5-ethyl-6-methylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-ene-5,9-diol (CHEBI:173037) has parent hydride stigmastane (CHEBI:26773) 14-(5-ethyl-6-methylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-ene-5,9-diol (CHEBI:173037) is a steroid (CHEBI:35341)

IUPAC Name

17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol