(Q104946436)

English

[(1S,3R)-2,2-dimethyl-4-methylidene-3-[(3E,7E)-3,8,12-trimethyltrideca-3,7,11-trienyl]cyclohexyl] formate

chemical compound

In more languages

Statements

type of chemical entity

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chemical compound

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386.318480584 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₆H₄₂O₂

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canonical SMILES

O=COC1CCC(=C)C(CCC(=CCCC=C(C)CCC=C(C)C)C)C1(C)C

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isomeric SMILES

C=C1CC[C@H](OC=O)C(C)(C)[C@@H]1CC/C(C)=C/CC/C=C(\C)CCC=C(C)C

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Bupleurum spinosum

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Polyacetylenes, terpenoids and flavonoids from Bupleurum spinosum

Identifiers

InChI=1S/C26H42O2/c1-20(2)11-10-14-21(3)12-8-9-13-22(4)15-17-24-23(5)16-18-25(28-19-27)26(24,6)7/h11-13,19,24-25H,5,8-10,14-18H2,1-4,6-7H3/b21-12+,22-13+/t24-,25+/m1/s1

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BVBDSKMFBNDVTM-KWDVGDNWSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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