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CHEBI:192336 - Faradiol laurate

Default Structure
ChEBI IDCHEBI:192336
ChEBI NameFaradiol laurate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H72O3
Net Charge0
Average Mass625.035
Monoisotopic Mass624.54815
SMILESCCCCCCCCCCCC(=O)OC1CCC2(C)C(CCC3(C)C2CCC2C4C(C)C(C)=CCC4(C)C(O)CC23C)C1(C)C
InChIInChI=1S/C42H72O3/c1-10-11-12-13-14-15-16-17-18-19-36(44)45-35-24-26-39(6)32(38(35,4)5)23-27-41(8)33(39)21-20-31-37-30(3)29(2)22-25-40(37,7)34(43)28-42(31,41)9/h22,30-35,37,43H,10-21,23-28H2,1-9H3
InChIKeyNKKIRZWINJADJC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ovis aries (ncbitaxon:9940) Rumen (NCIT:C98778) MetaboLights (MTBLS3683)
ChEBI Ontology
Outgoing Relation(s)
Faradiol laurate (CHEBI:192336) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(8-hydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl) dodecanoate
Manual XrefsDatabases
35013786ChemSpider
HMDB0034840HMDB