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CHEBI:227551 - Irpeksolactin J

Default Structure
ChEBI IDCHEBI:227551
ChEBI NameIrpeksolactin J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46O5
Net Charge0
Average Mass486.693
Monoisotopic Mass486.33452
SMILESCC(C)(O)[C@H]1CC[C@@H](C(=O)O)[C@H]2[C@@H](C[C@@]3(C)C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)C4=CC[C@]23C)O1
InChIInChI=1S/C30H46O5/c1-26(2)21-10-9-19-18(28(21,5)14-13-22(26)31)12-15-29(6)24-17(25(32)33)8-11-23(27(3,4)34)35-20(24)16-30(19,29)7/h9,12,17,20-24,31,34H,8,10-11,13-16H2,1-7H3,(H,32,33)/t17-,20-,21+,22+,23-,24+,28-,29-,30+/m1/s1
InChIKeyNXTUUYOIGYZIRQ-FIBRABEWSA-N
Species of MetaboliteComponentSourceComments
Irpex lacteus (ncbitaxon:5319) - PubMed (30851507)
ChEBI Ontology
Outgoing Relation(s)
Irpeksolactin J (CHEBI:227551) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2R,4R,6R,9R,10R,11R,15S,18S,20R)-18-hydroxy-6-(2-hydroxypropan-2-yl)-2,11,15,19,19-pentamethyl-5-oxapentacyclo[12.8.0.02,11.04,10.015,20]docosa-1(22),13-diene-9-carboxylic acid