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CHEBI:202321 - 12beta-Acetoxy-3,7,11,15,23-pentaoxo-5alpha-lanosta-8-en-26-oic acid ethyl ester

Default Structure
ChEBI IDCHEBI:202321
ChEBI Name12beta-Acetoxy-3,7,11,15,23-pentaoxo-5alpha-lanosta-8-en-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@@H](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]1CC3=O
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/h17-18,21,23,29H,10-16H2,1-9H3/t17-,18?,21-,23+,29-,32+,33+,34+/m1/s1
InChIKeyFAKYHKLJJUJWQN-KLIFODMISA-N
Species of MetaboliteComponentSourceComments
Ganoderma lucidum (ncbitaxon:5315) - PubMed (20615519)
ChEBI Ontology
Outgoing Relation(s)
12beta-Acetoxy-3,7,11,15,23-pentaoxo-5alpha-lanosta-8-en-26-oic acid ethyl ester (CHEBI:202321) is a triterpenoid (CHEBI:36615)
IUPAC Name 
ethyl (6R)-6-[(5R,10S,12S,13R,14R,17R)-12-acetyloxy-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate
Manual XrefsDatabases
28644975ChemSpider