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CHEBI:197601 - 25-Methylpisolactone

Default Structure
ChEBI IDCHEBI:197601
ChEBI Name25-Methylpisolactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H52O3
Net Charge0
Average Mass484.765
Monoisotopic Mass484.39165
SMILESC[C@H]([C@@H]1C[C@H](C(C)(C)C)C(=O)O1)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3
InChIInChI=1S/C32H52O3/c1-19(24-18-23(27(34)35-24)28(2,3)4)20-12-16-32(9)22-10-11-25-29(5,6)26(33)14-15-30(25,7)21(22)13-17-31(20,32)8/h19-20,23-26,33H,10-18H2,1-9H3/t19-,20+,23-,24-,25-,26-,30+,31+,32-/m0/s1
InChIKeyLQUKLMKTWJIZTL-RAPLVLAISA-N
Species of MetaboliteComponentSourceComments
Pisolithus tinctorius (ncbitaxon:37468) - DOI (10.1016/s0031-9422(97)00007-1)
ChEBI Ontology
Outgoing Relation(s)
25-Methylpisolactone (CHEBI:197601) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(3R,5S)-3-tert-butyl-5-[(1S)-1-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]oxolan-2-one
Manual XrefsDatabases
78436237ChemSpider