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CHEBI:215934 - Pardinol D

Default Structure
ChEBI IDCHEBI:215934
ChEBI NamePardinol D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H71NO11
Net Charge0
Average Mass814.070
Monoisotopic Mass813.50271
SMILESCOC(=O)[C@@H](NC(=O)C[C@@](C)(O)CC(=O)O[C@H]1[C@H](O)C[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H](C)CC[C@@H](O)C(C)(C)O)[C@@]1(C)[C@@H](O)C3)[C@@H](O)c1ccccc1
InChIInChI=1S/C46H71NO11/c1-26(16-19-33(49)42(4,5)55)28-20-21-45(8)29-17-18-32-41(2,3)39(31(48)23-44(32,7)30(29)22-34(50)46(28,45)9)58-36(52)25-43(6,56)24-35(51)47-37(40(54)57-10)38(53)27-14-12-11-13-15-27/h11-15,26,28,31-34,37-39,48-50,53,55-56H,16-25H2,1-10H3,(H,47,51)/t26-,28-,31-,32+,33-,34+,37+,38+,39+,43-,44-,45+,46+/m1/s1
InChIKeyDVXZCCHCRYPQLU-FINKOGSESA-N
Species of MetaboliteComponentSourceComments
Tricholoma pardinum (ncbitaxon:54540) - PubMed (29758519)
ChEBI Ontology
Outgoing Relation(s)
Pardinol D (CHEBI:215934) is a triterpenoid (CHEBI:36615)
IUPAC Name 
[(2R,3R,5R,10S,12S,13R,14S,17R)-17-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-2,12-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] (3R)-3-hydroxy-5-[[(1S,2S)-1-hydroxy-3-methoxy-3-oxo-1-phenylpropan-2-yl]amino]-3-methyl-5-oxopentanoate
Manual XrefsDatabases
78442408ChemSpider