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CHEBI:199863 - Xylarenone C

ChEBI IDCHEBI:199863
ChEBI NameXylarenone C
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FormulaC26H40O5
Net Charge0
Average Mass432.601
Monoisotopic Mass432.28757
SMILESC=C(CO)[C@@]12OC1[C@@]1(C)C(=CC2=O)[C@H](OC(=O)C(C)CC(C)CC(C)CC)CC[C@@H]1C
InChIInChI=1S/C26H40O5/c1-8-15(2)11-16(3)12-17(4)23(29)30-21-10-9-18(5)25(7)20(21)13-22(28)26(19(6)14-27)24(25)31-26/h13,15-18,21,24,27H,6,8-12,14H2,1-5,7H3/t15?,16?,17?,18-,21+,24?,25+,26-/m0/s1
InChIKeyCVLZBOJHINAXHY-LVAGTVMGSA-N
ChEBI Ontology
Outgoing Relation(s)
Xylarenone C (CHEBI:199863) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(1aR,4R,7S,7aR)-1a-(3-hydroxyprop-1-en-2-yl)-7,7a-dimethyl-2-oxo-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-4-yl] 2,4,6-trimethyloctanoate
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78445386ChemSpider