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CHEBI:200075 - 3alpha,12beta,15alpha-triacetoxy-5alpha-lanosta-7,9(11),24-trien-26-oic acid

Default Structure
ChEBI IDCHEBI:200075
ChEBI Name3alpha,12beta,15alpha-triacetoxy-5alpha-lanosta-7,9(11),24-trien-26-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H52O8
Net Charge0
Average Mass612.804
Monoisotopic Mass612.36622
SMILESCC(=O)O[C@H]1C[C@H]([C@H](C)CCC=C(C)C(=O)O)[C@@]2(C)[C@H](OC(C)=O)C=C3C(=CC[C@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]34C)[C@]12C
InChIInChI=1S/C36H52O8/c1-20(12-11-13-21(2)32(40)41)26-18-30(43-23(4)38)35(9)25-14-15-28-33(6,7)29(42-22(3)37)16-17-34(28,8)27(25)19-31(36(26,35)10)44-24(5)39/h13-14,19-20,26,28-31H,11-12,15-18H2,1-10H3,(H,40,41)/t20-,26-,28+,29-,30+,31-,34-,35-,36+/m1/s1
InChIKeyYKOBPCCHFIIFIF-GPBACBDISA-N
Species of MetaboliteComponentSourceComments
Ganoderma lucidum (ncbitaxon:5315) - DOI (10.1016/j.phytol.2015.02.012)
ChEBI Ontology
Outgoing Relation(s)
3alpha,12beta,15alpha-triacetoxy-5alpha-lanosta-7,9(11),24-trien-26-oic acid (CHEBI:200075) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(6R)-2-methyl-6-[(3R,5R,10S,12R,13R,14S,15S,17R)-3,12,15-triacetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-2-enoic acid
Manual XrefsDatabases
78442225ChemSpider