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CHEBI:202183 - Berkleasmin C

ChEBI IDCHEBI:202183
ChEBI NameBerkleasmin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46O7
Net Charge0
Average Mass518.691
Monoisotopic Mass518.32435
SMILESCCCCCCC(/C=C(\C)[C@@H](O)[C@@H](C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)CC3=C(C)C(=O)OC3=C[C@]12O)CO
InChIInChI=1S/C30H46O7/c1-7-8-9-10-11-22(17-31)14-18(2)26(32)21(5)28(34)37-25-13-12-19(3)29(6)15-23-20(4)27(33)36-24(23)16-30(25,29)35/h14,16,19,21-22,25-26,31-32,35H,7-13,15,17H2,1-6H3/b18-14+/t19-,21+,22?,25+,26+,29+,30-/m0/s1
InChIKeyKFAAXPBWXDDAGK-DWYXDEBLSA-N
Species of MetaboliteComponentSourceComments
Berkleasmium (ncbitaxon:358867) - DOI (10.1016/j.tet.2009.08.077)
ChEBI Ontology
Outgoing Relation(s)
Berkleasmin C (CHEBI:202183) is a terpene lactone (CHEBI:37668)
IUPAC Name 
[(4aR,5S,8R,8aR)-8a-hydroxy-3,4a,5-trimethyl-2-oxo-5,6,7,8-tetrahydro-4H-benzo[][1]benzouran-8-yl] (E,2R,3S)-3-hydroxy-6-(hydroxymethyl)-2,4-dimethyldodec-4-enoate
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78436830ChemSpider