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CHEBI:219457 - Sartorenol

ChEBI IDCHEBI:219457
ChEBI NameSartorenol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42O4
Net Charge0
Average Mass430.629
Monoisotopic Mass430.30831
SMILESC=C1CCC2C(C)(CC[C@H]3C(C)(C)[C@@H](OC(C)=O)CC[C@]23C)C1CCC(O)=CC(C)=O
InChIInChI=1S/C27H42O4/c1-17-8-11-23-26(6,21(17)10-9-20(30)16-18(2)28)14-12-22-25(4,5)24(31-19(3)29)13-15-27(22,23)7/h16,21-24,30H,1,8-15H2,2-7H3/t21?,22-,23?,24-,26?,27-/m0/s1
InChIKeyLAWKPPMBEOJCIZ-MNTPNPORSA-N
Species of MetaboliteComponentSourceComments
Neosartorya (ncbitaxon:36629) - PubMed (26082989)
ChEBI Ontology
Outgoing Relation(s)
Sartorenol (CHEBI:219457) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[(2S,4aR,10aR)-8-(3-hydroxy-5-oxohex-3-enyl)-1,1,4a,8a-tetramethyl-7-methylidene-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthren-2-yl] acetate
Manual XrefsDatabases
78445203ChemSpider