(Q115970533)

English

Rel-Trigohetone

group of stereoisomers with the chemical formula C₂₀H₃₀O₄

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Statements

group of stereoisomers

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chemical compound

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334.21440944 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₀O₄

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canonical SMILES

O=C(C=C(C)C)C(O)C(=CCCC(O)(C)C1C(=O)C=C(C)CC1)C

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isomeric SMILES

CC(C)=CC(=O)C(O)/C(C)=C/CC[C@](C)(O)C1CCC(C)=CC1=O

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Trigonostemon flavidus

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Constituents of Trigonostemon heterophyllus

Identifiers

InChI=1S/C20H30O4/c1-13(2)11-18(22)19(23)15(4)7-6-10-20(5,24)16-9-8-14(3)12-17(16)21/h7,11-12,16,19,23-24H,6,8-10H2,1-5H3/b15-7+/t16?,19?,20-/m0/s1

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MMCHYQXMIUOBDF-DZFGGSJHSA-N

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1 reference

3 January 2023

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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