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CHEBI:227635 - 3a-(3-hydroxy-5-methoxy-3-methyl-1,5-dioxopentyloxy)-24-methylene-5a-lanost-8-en-21-oic acid

Default Structure
ChEBI IDCHEBI:227635
ChEBI Name3a-(3-hydroxy-5-methoxy-3-methyl-1,5-dioxopentyloxy)-24-methylene-5a-lanost-8-en-21-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H60O7
Net Charge0
Average Mass628.891
Monoisotopic Mass628.43390
SMILESC=C(CC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)CC(C)(O)CC(=O)OC)C(C)(C)[C@@H]1CC3)C(C)C
InChIInChI=1S/C38H60O7/c1-23(2)24(3)11-12-25(33(41)42)26-15-19-38(9)28-13-14-29-34(4,5)30(45-32(40)22-35(6,43)21-31(39)44-10)17-18-36(29,7)27(28)16-20-37(26,38)8/h23,25-26,29-30,43H,3,11-22H2,1-2,4-10H3,(H,41,42)/t25-,26-,29+,30-,35?,36-,37-,38+/m1/s1
InChIKeyVKMZACSYECLFAU-HNBNAWJQSA-N
Species of MetaboliteComponentSourceComments
Ganoderma resinaceum (ncbitaxon:34465) - PubMed (17943562)
ChEBI Ontology
Outgoing Relation(s)
3a-(3-hydroxy-5-methoxy-3-methyl-1,5-dioxopentyloxy)-24-methylene-5a-lanost-8-en-21-oic acid (CHEBI:227635) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2R)-2-[(3R,5R,10S,13R,14R,17R)-3-(3-hydroxy-5-methoxy-3-methyl-5-oxopentanoyl)oxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid
Manual XrefsDatabases
78441258ChemSpider