CHEBI:176041 - Ganoderic acid R

ChEBI IDCHEBI:176041
ChEBI NameGanoderic acid R
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H50O6
Net Charge0
Average Mass554.768
Monoisotopic Mass554.36074
SMILES[H][C@@]12CC=C3C(=CC[C@@]4(C)[C@@]3(C)CC[C@]4([H])[C@H](C)[C@H](C/C=C(\C)C(=O)O)OC(C)=O)[C@@]1(C)CC[C@@H](OC(C)=O)C2(C)C
InChIInChI=1S/C34H50O6/c1-20(30(37)38)10-12-27(39-22(3)35)21(2)24-14-18-34(9)26-11-13-28-31(5,6)29(40-23(4)36)16-17-32(28,7)25(26)15-19-33(24,34)8/h10-11,15,21,24,27-29H,12-14,16-19H2,1-9H3,(H,37,38)/b20-10+/t21-,24+,27-,28-,29+,32+,33+,34-/m0/s1
InChIKeyRXLRLJSRXDHQCH-ASNKJFCVSA-N
Species of MetaboliteComponentSourceComments
Ganoderma lucidum (ncbitaxon:5315) - DOI (10.1248/cpb.34.2282)
ChEBI Ontology
Outgoing Relation(s)
Ganoderic acid R (CHEBI:176041) is a triterpenoid (CHEBI:36615)
IUPAC Names 
(E,5S,6S)-5-acetyloxy-6-[(3R,10S,13R,14R,17R)-3-acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
(E,5S,6S)-5-acetyloxy-6-[(3R,5R,10S,13R,14R,17R)-3-acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
Manual XrefsDatabases
10273040ChemSpider
78443550ChemSpider