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CHEBI:208343 - Actinoallolide B

ChEBI IDCHEBI:208343
ChEBI NameActinoallolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H54O8
Net Charge0
Average Mass566.776
Monoisotopic Mass566.38187
SMILESCC[C@@H]1C(=O)C2(C)CC(C)=CC[C@H]([C@H](C)[C@H](O)[C@H](C)CC(C)=C[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)CC)OC(=O)CC1(O)O2
InChIInChI=1S/C32H54O8/c1-10-24-30(37)31(9)16-18(3)12-13-26(39-27(34)17-32(24,38)40-31)23(8)29(36)21(6)15-19(4)14-20(5)28(35)22(7)25(33)11-2/h12,14,20-26,28-29,33,35-36,38H,10-11,13,15-17H2,1-9H3/t20-,21+,22+,23-,24+,25-,26+,28+,29+,31?,32?/m0/s1
InChIKeyGLIPEBQBWMVZJH-CPMPDNOVSA-N
Species of MetaboliteComponentSourceComments
Actinoallomurus (ncbitaxon:667113) - PubMed (25635351)
ChEBI Ontology
Outgoing Relation(s)
Actinoallolide B (CHEBI:208343) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(5R,12R)-12-ethyl-1-hydroxy-8,10-dimethyl-5-[(2R,3R,4R,8S,9R,10R,11S)-3,9,11-trihydroxy-4,6,8,10-tetramethyltridec-6-en-2-yl]-4,13-dioxabicyclo[8.2.1]tridec-7-ene-3,11-dione