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CHEBI:222381 - Leucopaxillone B

ChEBI IDCHEBI:222381
ChEBI NameLeucopaxillone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H52O8
Net Charge0
Average Mass588.782
Monoisotopic Mass588.36622
SMILESCC(=O)O[C@H](C[C@@H](OC(C)=O)C(C)(C)O)[C@@H](C)C1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CCC(=O)C4(C)C)[C@]3(C)[C@]3(O)C[C@]12CO3
InChIInChI=1S/C34H52O8/c1-19(25(41-20(2)35)16-28(30(6,7)38)42-21(3)36)22-14-15-31(8)26-12-10-23-24(11-13-27(37)29(23,4)5)32(26,9)34(39)17-33(22,31)18-40-34/h10,19,22,24-26,28,38-39H,11-18H2,1-9H3/t19-,22?,24+,25+,26-,28+,31-,32-,33-,34-/m0/s1
InChIKeyDSTOROHYHNDBMG-ZWRBYNDMSA-N
Species of MetaboliteComponentSourceComments
Leucopaxillus gentianeus (ncbitaxon:181998) - PubMed (15568769)
ChEBI Ontology
Outgoing Relation(s)
Leucopaxillone B (CHEBI:222381) is a steroid ester (CHEBI:47880)
IUPAC Name 
[(2S,3R,5R)-5-acetyloxy-6-hydroxy-2-[(1S,5S,6S,14R,15R,16S)-16-hydroxy-5,10,10,15-tetramethyl-11-oxo-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadec-8-en-2-yl]-6-methylheptan-3-yl] acetate
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