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CHEBI:202520 - Pisosteral

Default Structure
ChEBI IDCHEBI:202520
ChEBI NamePisosteral
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H52O5
Net Charge0
Average Mass528.774
Monoisotopic Mass528.38147
SMILESC=C(C(C)C)[C@H](O)[C@H](OC(C)=O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@](C)(C=O)[C@@H]1CC3
InChIInChI=1S/C33H52O5/c1-19(2)20(3)28(37)29(38-22(5)35)21(4)23-12-16-33(9)25-10-11-26-30(6,24(25)13-17-32(23,33)8)15-14-27(36)31(26,7)18-34/h18-19,21,23,26-29,36-37H,3,10-17H2,1-2,4-9H3/t21-,23+,26+,27-,28-,29+,30+,31-,32+,33-/m0/s1
InChIKeyKLEPQNPDFVXMQZ-IMPYHFLASA-N
Species of MetaboliteComponentSourceComments
Pisolithus tinctorius (ncbitaxon:37468) - DOI (10.1590/s0103-50532005000500028)
ChEBI Ontology
Outgoing Relation(s)
Pisosteral (CHEBI:202520) is a triterpenoid (CHEBI:36615)
IUPAC Name 
[(2S,3R,4S)-2-[(3S,4S,5R,10S,13R,14R,17R)-4-ormyl-3-hydroxy-4,10,13,14-tetramethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-hydroxy-6-methyl-5-methylideneheptan-3-yl] acetate
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78441895ChemSpider