(Q105223084)

English

(Z)-2-[2-[(1S,4aR,8aR)-2-(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]ethyl]but-2-ene-1,4-diol

chemical compound

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Statements

type of chemical entity

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322.250794948 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₄O₃

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canonical SMILES

OCC=C(CO)CCC1C(=CCC2C(C)(C)CCCC12C)CO

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isomeric SMILES

CC1(C)CCC[C@@]2(C)[C@H](CC/C(=C/CO)CO)C(CO)=CC[C@H]12

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Achyrocline alata

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A new labdane derivative and geranylphloroglucinols from Achyrocline alata

Identifiers

InChI=1S/C20H34O3/c1-19(2)10-4-11-20(3)17(7-5-15(13-22)9-12-21)16(14-23)6-8-18(19)20/h6,9,17-18,21-23H,4-5,7-8,10-14H2,1-3H3/b15-9-/t17-,18-,20+/m1/s1

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QKFYQBBBSKOMPQ-ZMYBETPQSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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