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CHEBI:227544 - Irpeksolactin I

Default Structure
ChEBI IDCHEBI:227544
ChEBI NameIrpeksolactin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H50O6
Net Charge0
Average Mass518.735
Monoisotopic Mass518.36074
SMILESCOC(C)(C)C(O)CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C
InChIInChI=1S/C31H50O6/c1-27(2)22-11-10-20-19(29(22,5)15-14-23(27)33)13-16-30(6)25(21(32)17-31(20,30)7)18(26(35)36)9-12-24(34)28(3,4)37-8/h10,13,18,21-25,32-34H,9,11-12,14-17H2,1-8H3,(H,35,36)/t18-,21-,22+,23+,24?,25+,29-,30-,31+/m1/s1
InChIKeyWHISHYNXGOUKGT-UTOUSUKXSA-N
Species of MetaboliteComponentSourceComments
Irpex lacteus (ncbitaxon:5319) - PubMed (30851507)
ChEBI Ontology
Outgoing Relation(s)
Irpeksolactin I (CHEBI:227544) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2R)-2-[(3S,5R,10S,13R,14R,16R,17R)-3,16-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-6-methoxy-6-methylheptanoic acid