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CHEBI:210141 - 1,2-dihydro-6,16-O-dideacetylhelvolic acid 21,16-lactone

ChEBI IDCHEBI:210141
ChEBI Name1,2-dihydro-6,16-O-dideacetylhelvolic acid 21,16-lactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H40O5
Net Charge0
Average Mass468.634
Monoisotopic Mass468.28757
SMILESCC(C)=CCCC1=C2[C@H](C[C@@]3(C)[C@H]2CC[C@H]2[C@@]4(C)CCC(=O)[C@@H](C)[C@@H]4[C@H](O)C(=O)[C@@]23C)OC1=O
InChIInChI=1S/C29H40O5/c1-15(2)8-7-9-17-22-18-10-11-21-27(4)13-12-19(30)16(3)23(27)24(31)25(32)29(21,6)28(18,5)14-20(22)34-26(17)33/h8,16,18,20-21,23-24,31H,7,9-14H2,1-6H3/t16-,18+,20+,21+,23-,24+,27-,28+,29-/m1/s1
InChIKeyNFNDYUWVWPAOET-IDTZKTCDSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (30070829)
ChEBI Ontology
Outgoing Relation(s)
1,2-dihydro-6,16-O-dideacetylhelvolic acid 21,16-lactone (CHEBI:210141) is a steroid lactone (CHEBI:26766)
IUPAC Name 
(1S,2S,4S,9R,12S,13R,17S,18S,19S)-19-hydroxy-1,2,13,17-tetramethyl-7-(4-methylpent-3-enyl)-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-7-ene-6,16,20-trione
Manual XrefsDatabases
71044365ChemSpider