EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:181042 - methyl 5,6-diacetyloxy-10-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,8-trioxo-4a,5,6,6a,9,10,10b,11-octahydronaphtho[1,2-h]isochromene-2-carboxylate

ChEBI IDCHEBI:181042
ChEBI Namemethyl 5,6-diacetyloxy-10-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,8-trioxo-4a,5,6,6a,9,10,10b,11-octahydronaphtho[1,2-h]isochromene-2-carboxylate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H40O11
Net Charge0
Average Mass576.639
Monoisotopic Mass576.25706
SMILESC=C1CC2C3(C)C(O)CC(=O)C(C)(C)C3C(OC(C)=O)C(OC(C)=O)C2(C)C2C(=O)OC(C)(C(=O)OC)C(=O)C12C
InChIInChI=1S/C30H40O11/c1-13-11-16-28(7)18(34)12-17(33)26(4,5)20(28)19(39-14(2)31)22(40-15(3)32)29(16,8)21-23(35)41-30(9,25(37)38-10)24(36)27(13,21)6/h16,18-22,34H,1,11-12H2,2-10H3
InChIKeyFFXYBQSGDXRLHS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
methyl 5,6-diacetyloxy-10-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,8-trioxo-4a,5,6,6a,9,10,10b,11-octahydronaphtho[1,2-h]isochromene-2-carboxylate (CHEBI:181042) is a oxo steroid (CHEBI:35789)
IUPAC Name 
methyl 5,6-diacetyloxy-10-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,8-trioxo-4a,5,6,6a,9,10,10b,11-octahydronaphtho[1,2-h]isochromene-2-carboxylate
Manual XrefsDatabases
22943259ChemSpider