Pisolactone (CHEBI:203238)

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CHEBI:203238 - Pisolactone

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ChEBI ID	CHEBI:203238
ChEBI Name	Pisolactone
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C31H50O3
Net Charge	0
Average Mass	470.738
Monoisotopic Mass	470.37600
SMILES	CC(C)[C@H]1C[C@@H]([C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC4)OC1=O
InChI	InChI=1S/C31H50O3/c1-18(2)20-17-24(34-27(20)33)19(3)21-11-15-31(8)23-9-10-25-28(4,5)26(32)13-14-29(25,6)22(23)12-16-30(21,31)7/h18-21,24-26,32H,9-17H2,1-8H3/t19-,20+,21+,24-,25-,26-,29+,30+,31-/m0/s1
InChIKey	TWOLTMVJWNRWJQ-DXDFVCSKSA-N

Species of Metabolite	Component	Source	Comments
Pisolithus tinctorius (ncbitaxon:37468)	-	DOI (10.1016/s0040-4039(00)81884-5)

ChEBI Ontology

Outgoing Relation(s)
	Pisolactone (CHEBI:203238) is a triterpenoid (CHEBI:36615)

IUPAC Name
(3R,5S)-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]-3-propan-2-yloxolan-2-one

Manual Xrefs	Databases
78440154	ChemSpider