(Q105327640)

English

(1S,4aS,8aR)-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a,6-trimethyl-2,3,4,7,8,8a-hexahydronaphthalene-1-carboxylic acid

chemical compound

In more languages

Statements

type of chemical entity

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320.235144884 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₂O₃

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canonical SMILES

O=C(O)C1(C)CCCC2(C(=C(C)CCC12)CCC(=CCO)C)C

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isomeric SMILES

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

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Araucaria cunninghamii

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New diterpenes from Araucaria cunninghami

Identifiers

InChI=1S/C20H32O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h10,17,21H,5-9,11-13H2,1-4H3,(H,22,23)/b14-10+/t17-,19-,20+/m1/s1

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XGKGQFWDBLFNSJ-UTZABIFNSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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