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CHEBI:203019 - Abscisterol C

ChEBI IDCHEBI:203019
ChEBI NameAbscisterol C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H38O3
Net Charge0
Average Mass410.598
Monoisotopic Mass410.28210
SMILESC=C(CCC(=O)C1=CC[C@H]2C3=CC[C@H]4[C@H]5OC[C@@]4(CC[C@@H]5O)[C@H]3CC[C@]12C)C(C)C
InChIInChI=1S/C27H38O3/c1-16(2)17(3)5-10-23(28)21-9-8-19-18-6-7-22-25-24(29)12-14-27(22,15-30-25)20(18)11-13-26(19,21)4/h6,9,16,19-20,22,24-25,29H,3,5,7-8,10-15H2,1-2,4H3/t19-,20-,22-,24-,25+,26-,27-/m0/s1
InChIKeyMLFJWRICYTXXER-CTSXIPLNSA-N
Species of MetaboliteComponentSourceComments
Cryptosporiopsis (ncbitaxon:108533) - DOI (10.1016/0040-4039(95)01598-1)
ChEBI Ontology
Outgoing Relation(s)
Abscisterol C (CHEBI:203019) is a oxacycle (CHEBI:38104)
IUPAC Name 
1-[(1S,2S,5S,9S,13R,14R,15S)-15-hydroxy-5-methyl-19-oxapentacyclo[12.3.2.01,13.02,10.05,9]nonadeca-6,10-dien-6-yl]-5-methyl-4-methylidenehexan-1-one
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78436948ChemSpider