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CHEBI:215010 - 7-O-ethyl ganoderic acid O

Default Structure
ChEBI IDCHEBI:215010
ChEBI Name7-O-ethyl ganoderic acid O
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H58O9
Net Charge0
Average Mass658.873
Monoisotopic Mass658.40808
SMILESCCO[C@@H]1C[C@H]2C(C)(C)[C@H](OC(C)=O)CC[C@]2(C)C2=C1[C@]1(C)[C@@H](OC(C)=O)C[C@H]([C@H](C)C(C/C=C(\C)C(=O)O)OC(C)=O)[C@@]1(C)CC2
InChIInChI=1S/C38H58O9/c1-12-44-29-20-30-35(7,8)31(46-24(5)40)16-17-36(30,9)26-15-18-37(10)27(19-32(47-25(6)41)38(37,11)33(26)29)22(3)28(45-23(4)39)14-13-21(2)34(42)43/h13,22,27-32H,12,14-20H2,1-11H3,(H,42,43)/b21-13+/t22-,27+,28?,29+,30-,31+,32-,36+,37+,38-/m0/s1
InChIKeyAECSEKNULZXYNZ-AHVORFFJSA-N
Species of MetaboliteComponentSourceComments
Ganoderma lucidum (ncbitaxon:5315) - PubMed (20706913)
ChEBI Ontology
Outgoing Relation(s)
7-O-ethyl ganoderic acid O (CHEBI:215010) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(E,6S)-5-acetyloxy-6-[(3R,5R,7R,10S,13R,14R,15S,17R)-3,15-diacetyloxy-7-ethoxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
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28647423ChemSpider