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CHEBI:207681 - Abscisterol D

ChEBI IDCHEBI:207681
ChEBI NameAbscisterol D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42O2
Net Charge0
Average Mass398.631
Monoisotopic Mass398.31848
SMILESC=C(CC/C=C1\CC[C@H]2[C@@]34CC[C@H]5C[C@@H](O)CC[C@]5(CO3)[C@H]4CC[C@]12C)C(C)C
InChIInChI=1S/C27H42O2/c1-18(2)19(3)6-5-7-20-8-9-23-25(20,4)13-12-24-26-14-11-22(28)16-21(26)10-15-27(23,24)29-17-26/h7,18,21-24,28H,3,5-6,8-17H2,1-2,4H3/b20-7+/t21-,22-,23+,24+,25+,26+,27+/m0/s1
InChIKeyFTLICNMHWMKCKU-VNUJQWEPSA-N
Species of MetaboliteComponentSourceComments
Cryptosporiopsis (ncbitaxon:108533) - DOI (10.1016/0040-4039(95)01598-1)
ChEBI Ontology
Outgoing Relation(s)
Abscisterol D (CHEBI:207681) is a oxacycle (CHEBI:38104)
IUPAC Name 
(1R,2R,5S,6E,9R,10R,13S,15S)-5-methyl-6-(5-methyl-4-methylidenehexylidene)-19-oxapentacyclo[8.7.2.01,13.02,10.05,9]nonadecan-15-ol
Manual XrefsDatabases
78437894ChemSpider