(Q105150714)

English

2-[1-(6-Ethyl-3,5-dimethyl-4-oxopyran-2-yl)ethyl]-2,4-dihydroxy-3,5,9,11-tetramethyl-8-(3-oxopentan-2-yl)-1,7-dioxaspiro[5.5]undecan-10-one

group of stereoisomers with the chemical formula C₂₉H₄₄O₈

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Statements

instance of

group of stereoisomers

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subclass of

biogenic 1,7-dioxaspiro(5.5)undecane

1 reference

inferred from

biogenic 1,7-dioxaspiro(5.5)undecane

mass

520.303618368 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₄O₈

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canonical SMILES

O=C1C(=C(OC(=C1C)C(C)C2(O)OC3(OC(C(C(=O)CC)C)C(C(=O)C3C)C)C(C)C(O)C2C)CC)C

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found in taxon

Siphonaria denticulata

1 reference

stated in

Novel metabolites of four Siphonaria species

Identifiers

InChI

InChI=1S/C29H44O8/c1-11-21(30)13(3)26-16(6)24(32)18(8)29(36-26)19(9)25(33)17(7)28(34,37-29)20(10)27-15(5)23(31)14(4)22(12-2)35-27/h13,16-20,25-26,33-34H,11-12H2,1-10H3

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InChIKey

LEPZJIOTHLJGCD-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LEPZJIOTHLJGCD-UHFFFAOYSA-N

(Q105150714)

2-[1-(6-Ethyl-3,5-dimethyl-4-oxopyran-2-yl)ethyl]-2,4-dihydroxy-3,5,9,11-tetramethyl-8-(3-oxopentan-2-yl)-1,7-dioxaspiro[5.5]undecan-10-one

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Identifiers

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