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CHEBI:211656 - Actinoallolide C

ChEBI IDCHEBI:211656
ChEBI NameActinoallolide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H50O7
Net Charge0
Average Mass546.745
Monoisotopic Mass546.35565
SMILESCCC(=O)[C@@H](C)[C@H](O)[C@@H](C)C=C(C)C[C@@H](C)[C@@H](O)[C@@H](C)[C@H]1CC=C(C)CC2(C)OC(=C(CC)C2=O)CC(=O)O1
InChIInChI=1S/C32H50O7/c1-10-24-27-16-28(34)38-26(13-12-18(3)17-32(9,39-27)31(24)37)23(8)30(36)21(6)15-19(4)14-20(5)29(35)22(7)25(33)11-2/h12,14,20-23,26,29-30,35-36H,10-11,13,15-17H2,1-9H3/t20-,21+,22+,23-,26+,29+,30+,32?/m0/s1
InChIKeyJJBKBNZVPPRXII-KJKTYCSFSA-N
Species of MetaboliteComponentSourceComments
Actinoallomurus (ncbitaxon:667113) - PubMed (25635351)
ChEBI Ontology
Outgoing Relation(s)
Actinoallolide C (CHEBI:211656) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
(5R)-5-[(2R,3R,4R,8S,9R,10S)-3,9-dihydroxy-4,6,8,10-tetramethyl-11-oxotridec-6-en-2-yl]-12-ethyl-8,10-dimethyl-4,13-dioxabicyclo[8.2.1]trideca-1(12),7-diene-3,11-dione