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CHEBI:228952 - 15-O-Methylcimigenol

Default Structure
ChEBI IDCHEBI:228952
ChEBI Name15-O-Methylcimigenol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H50O5
Net Charge0
Average Mass502.736
Monoisotopic Mass502.36582
SMILES[H][C@]1(C(C)(C)O)OC23OC1CC(C)[C@]2([H])[C@@]1(C)CC[C@@]24C[C@@]25CC[C@H](O)C(C)(C)C5CCC4C1(C)C3OC
InChIInChI=1S/C31H50O5/c1-17-15-18-23(26(4,5)33)36-31(35-18)22(17)27(6)13-14-30-16-29(30)12-11-21(32)25(2,3)19(29)9-10-20(30)28(27,7)24(31)34-8/h17-24,32-33H,9-16H2,1-8H3/t17?,18?,19?,20?,21-,22+,23-,24?,27+,28?,29+,30-,31?/m0/s1
InChIKeyGMPKREGBYUOSKB-MYAOLYEBSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
15-O-Methylcimigenol (CHEBI:228952) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(9S,12R,14S,17R,18R,22S)-22-(2-hydroxypropan-2-yl)-2-methoxy-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-9-ol
Manual XrefsDatabases
4477830ChemSpider