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CHEBI:181939 - (1R,4R,5R,8R,10S,13R,14R,18R)-4,5,9,9,13,20,20-Heptamethyl-24-oxahexacyclo[17.3.2.01,18.04,17.05,14.08,13]tetracosan-10-ol

Default Structure
ChEBI IDCHEBI:181939
ChEBI Name(1R,4R,5R,8R,10S,13R,14R,18R)-4,5,9,9,13,20,20-Heptamethyl-24-oxahexacyclo[17.3.2.01,18.04,17.05,14.08,13]tetracosan-10-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H50O2
Net Charge0
Average Mass442.728
Monoisotopic Mass442.38108
SMILES[H][C@]12C3OC[C@@]1(CCC3(C)C)CC[C@]1(C)C2CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@]21C
InChIInChI=1S/C30H50O2/c1-25(2)14-16-30-17-15-28(6)19(23(30)24(25)32-18-30)8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-29(21,28)7/h19-24,31H,8-18H2,1-7H3/t19?,20-,21+,22-,23-,24?,27-,28+,29+,30+/m0/s1
InChIKeyBZNIIOGSANMIET-MZWAYPSQSA-N
ChEBI Ontology
Outgoing Relation(s)
(1R,4R,5R,8R,10S,13R,14R,18R)-4,5,9,9,13,20,20-Heptamethyl-24-oxahexacyclo[17.3.2.01,18.04,17.05,14.08,13]tetracosan-10-ol (CHEBI:181939) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(1R,4R,5R,8R,10S,13R,14R,18R)-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[17.3.2.01,18.04,17.05,14.08,13]tetracosan-10-ol
Manual XrefsDatabases
10128438ChemSpider
C15274KEGG COMPOUND