(Q104961365)

English

2-{6-methyl-6-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-1,2-dioxan-3-yl}propanoic acid

group of stereoisomers with the chemical formula C₂₄H₄₀O₄

In more languages

Statements

group of stereoisomers

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chemical compound

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392.29265976 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₄₀O₄

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canonical SMILES

O=C(O)C(C)C1OOC(C)(CCC=C(C)CCC=C(C)CCC=C(C)C)CC1

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isomeric SMILES

CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC1(C)CCC(C(C)C(=O)O)OO1

1 reference

based on heuristic

inferred from InChI

Sigmosceptrella

1 reference

Nuapapuin A and sigmosceptrellins D and E: new norterpene cyclic peroxides from a southern australian marine sponge, sigmosceptrella sp

Identifiers

InChI=1S/C24H40O4/c1-18(2)10-7-11-19(3)12-8-13-20(4)14-9-16-24(6)17-15-22(27-28-24)21(5)23(25)26/h10,12,14,21-22H,7-9,11,13,15-17H2,1-6H3,(H,25,26)/b19-12+,20-14+

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CJMCHLFTZMZUPT-LCAIAVFMSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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