(Q105259994)

English

[(E,2S,7R)-7-hydroxy-2-[(E)-6-hydroxy-4-(hydroxymethyl)hex-4-enyl]-6,10-dimethyl-9-methylideneundec-5-enyl] acetate

chemical compound

In more languages

Statements

type of chemical entity

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biogenic acyclic ester

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396.28757438 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₃H₄₀O₅

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canonical SMILES

O=C(OCC(CCC=C(C)C(O)CC(=C)C(C)C)CCCC(=CCO)CO)C

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isomeric SMILES

C=C(C[C@@H](O)/C(C)=C/CC[C@H](CCC/C(=C\CO)CO)COC(C)=O)C(C)C

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Lasiolaena morii

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Guaianolides and homoditerpenes from Lasiolaena morii

Identifiers

InChI=1S/C23H40O5/c1-17(2)19(4)14-23(27)18(3)8-6-10-22(16-28-20(5)26)11-7-9-21(15-25)12-13-24/h8,12,17,22-25,27H,4,6-7,9-11,13-16H2,1-3,5H3/b18-8+,21-12+/t22-,23-/m1/s1

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SSWGQMOHXYFBBU-AZUJWKMPSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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