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CHEBI:210134 - 6-O-propionyl-6,16-O-dideacetylhelvolic acid 21,16-lactone

ChEBI IDCHEBI:210134
ChEBI Name6-O-propionyl-6,16-O-dideacetylhelvolic acid 21,16-lactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H42O6
Net Charge0
Average Mass522.682
Monoisotopic Mass522.29814
SMILESCCC(=O)O[C@@H]1C(=O)[C@@]2(C)[C@@H](CC[C@H]3C4=C(CCC=C(C)C)C(=O)O[C@H]4C[C@@]32C)[C@@]2(C)C=CC(=O)[C@@H](C)[C@H]12
InChIInChI=1S/C32H42O6/c1-8-24(34)38-27-26-18(4)21(33)14-15-30(26,5)23-13-12-20-25-19(11-9-10-17(2)3)29(36)37-22(25)16-31(20,6)32(23,7)28(27)35/h10,14-15,18,20,22-23,26-27H,8-9,11-13,16H2,1-7H3/t18-,20+,22+,23+,26-,27+,30-,31+,32-/m1/s1
InChIKeyZNJSAZSREDLBFV-DGYAOCMVSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (30070829)
ChEBI Ontology
Outgoing Relation(s)
6-O-propionyl-6,16-O-dideacetylhelvolic acid 21,16-lactone (CHEBI:210134) is a steroid lactone (CHEBI:26766)
IUPAC Name 
[(1S,2S,4S,9R,12S,13R,17S,18S,19S)-1,2,13,17-tetramethyl-7-(4-methylpent-3-enyl)-6,16,20-trioxo-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-7,14-dien-19-yl] propanoate
Manual XrefsDatabases
71044364ChemSpider