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CHEBI:208553 - 12beta-acetoxy-7beta-hydroxy-3,11,15,23-tetraoxo-5alpha-lanosta-8,20-dien-26-oic acid ethyl ester

Default Structure
ChEBI IDCHEBI:208553
ChEBI Name12beta-acetoxy-7beta-hydroxy-3,11,15,23-tetraoxo-5alpha-lanosta-8,20-dien-26-oic acid ethyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H46O9
Net Charge0
Average Mass598.733
Monoisotopic Mass598.31418
SMILESCCOC(=O)C(C)CC(=O)C=C(C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O
InChIInChI=1S/C34H46O9/c1-10-42-30(41)18(3)14-20(36)13-17(2)21-15-25(39)34(9)26-22(37)16-23-31(5,6)24(38)11-12-32(23,7)27(26)28(40)29(33(21,34)8)43-19(4)35/h13,18,21-23,29,37H,10-12,14-16H2,1-9H3/t18?,21-,22+,23+,29-,32+,33+,34+/m1/s1
InChIKeyQZWDDWNJTJUSCQ-HLQVCFCGSA-N
Species of MetaboliteComponentSourceComments
Ganoderma lingzhi (ncbitaxon:1233435) - DOI (10.1016/j.phytol.2016.07.024)
ChEBI Ontology
Outgoing Relation(s)
12beta-acetoxy-7beta-hydroxy-3,11,15,23-tetraoxo-5alpha-lanosta-8,20-dien-26-oic acid ethyl ester (CHEBI:208553) is a triterpenoid (CHEBI:36615)
IUPAC Name 
ethyl 6-[(5R,7S,10S,12S,13R,14R,17R)-12-acetyloxy-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxohept-5-enoate
Manual XrefsDatabases
78442110ChemSpider