Summary

Molecular formula: C16H22O4
SMILES: O=C1[C@@H](O)C[C@@H](C2=C1C[C@@H]1[C@@H](CC[C@@]1(O2)C)C(=C)C)O
InChI: InChI=1S/C16H22O4/c1-8(2)9-4-5-16(3)11(9)6-10-14(19)12(17)7-13(18)15(10)20-16/h9,11-13,17-18H,1,4-7H2,2-3H3/t9-,11+,12-,13-,16-/m0/s1
InChIKey: XXEZBUQSFPDVPL-KVNBTJPBSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCC2=C1CC1CCCC1O2

Scaffold Graph/Node level:
OC1CCCC2OC3CCCC3CC12

Scaffold Graph level:
CC1CCCC2CC3CCCC3CC12

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Chemical classification

Kingdom: Organic compounds
Super class: Organic oxygen compounds
Class: Organooxygen compounds
Sub class: Carbonyl compounds

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Synonymous chemical names:
coibanol a

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External chemical identifiers:
CID_139588374; NPATLAS_NPA018916; CHEMSPIDER_28289467; ZINC_ZINC000238769578

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Chemical structure download