(Q105146866)

English

(4Z,9S,11S)-11-ethyl-4-(hydroxymethyl)-11-methyl-8-methylidenebicyclo[7.2.0]undec-4-en-3-one

group of stereoisomers with the chemical formula C₁₆H₂₄O₂

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

248.177630008 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₆H₂₄O₂

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canonical SMILES

O=C1C(=CCCC(=C)C2CC(C)(CC)C2C1)CO

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isomeric SMILES

C=C1CC/C=C(/CO)C(=O)CC2[C@@H]1C[C@]2(C)CC

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found in taxon

Pulicaria arabica

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stated in

Caryophyllene derivatives from Pulicaria arabica

Identifiers

InChI

InChI=1S/C16H24O2/c1-4-16(3)9-13-11(2)6-5-7-12(10-17)15(18)8-14(13)16/h7,13-14,17H,2,4-6,8-10H2,1,3H3/b12-7-/t13-,14?,16+/m1/s1

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InChIKey

KWCWLVHJYZEJAQ-QSRHBVGDSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KWCWLVHJYZEJAQ-QSRHBVGDSA-N

(Q105146866)

(4Z,9S,11S)-11-ethyl-4-(hydroxymethyl)-11-methyl-8-methylidenebicyclo[7.2.0]undec-4-en-3-one

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Identifiers

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