EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:181313 - [19-acetyloxy-2-hydroxy-7-(2-hydroxypropan-2-yl)-4,12,17,18,20-pentamethyl-23-oxo-8,13,16-trioxahexacyclo[12.9.0.03,12.04,9.015,18.015,21]tricosa-1(14),21-dien-5-yl] acetate

ChEBI IDCHEBI:181313
ChEBI Name[19-acetyloxy-2-hydroxy-7-(2-hydroxypropan-2-yl)-4,12,17,18,20-pentamethyl-23-oxo-8,13,16-trioxahexacyclo[12.9.0.03,12.04,9.015,18.015,21]tricosa-1(14),21-dien-5-yl] acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H44O10
Net Charge0
Average Mass588.694
Monoisotopic Mass588.29345
SMILESCC(=O)OC1CC(C(C)(C)O)OC2CCC3(C)OC4=C(C(=O)C=C5C(C)C(OC(C)=O)C6(C)C(C)OC546)C(O)C3C12C
InChIInChI=1S/C32H44O10/c1-14-18-12-19(35)23-24(36)25-29(7,42-27(23)32(18)31(9,15(2)41-32)26(14)39-17(4)34)11-10-20-30(25,8)22(38-16(3)33)13-21(40-20)28(5,6)37/h12,14-15,20-22,24-26,36-37H,10-11,13H2,1-9H3
InChIKeyMPCIDUFOTGXABA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
[19-acetyloxy-2-hydroxy-7-(2-hydroxypropan-2-yl)-4,12,17,18,20-pentamethyl-23-oxo-8,13,16-trioxahexacyclo[12.9.0.03,12.04,9.015,18.015,21]tricosa-1(14),21-dien-5-yl] acetate (CHEBI:181313) is a oxacycle (CHEBI:38104)
IUPAC Name 
[19-acetyloxy-2-hydroxy-7-(2-hydroxypropan-2-yl)-4,12,17,18,20-pentamethyl-23-oxo-8,13,16-trioxahexacyclo[12.9.0.03,12.04,9.015,18.015,21]tricosa-1(14),21-dien-5-yl] acetate