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CHEBI:224641 - Chloriolin B

ChEBI IDCHEBI:224641
ChEBI NameChloriolin B
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FormulaC23H35ClO7
Net Charge0
Average Mass458.979
Monoisotopic Mass458.20713
SMILESCCCCCCC(O)C(=O)O[C@@H]1[C@@H]2[C@H](CC1(C)C)[C@H](O)C1=C(Cl)C(=O)[C@@](O)(CO)[C@]12C
InChIInChI=1S/C23H35ClO7/c1-5-6-7-8-9-13(26)20(29)31-19-14-12(10-21(19,2)3)17(27)15-16(24)18(28)23(30,11-25)22(14,15)4/h12-14,17,19,25-27,30H,5-11H2,1-4H3/t12-,13?,14-,17-,19+,22-,23-/m0/s1
InChIKeyOEQVWIAOBFYYLM-QTMJIHRVSA-N
ChEBI Ontology
Outgoing Relation(s)
Chloriolin B (CHEBI:224641) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(3S,3aS,3bR,4R,6aS,7S)-1-chloro-3,7-dihydroxy-3-(hydroxymethyl)-3a,5,5-trimethyl-2-oxo-4,6,6a,7-tetrahydro-3bH-cyclopenta[a]pentalen-4-yl] 2-hydroxyoctanoate
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8654715ChemSpider