(Q105031379)

English

(3aR)-3-Methylene-4alpha-(isovaleryloxy)-5beta-[(S)-1-methyl-4-hydroxybutyl]-6-methyl-2,3,3aalpha,4,7,7aalpha-hexahydrobenzofuran-2-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[5-(5-Hydroxypentan-2-yl)-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-4-yl] 3-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

350.20932406 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₀O₅

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canonical SMILES

O=C1OC2CC(=C(C(OC(=O)CC(C)C)C2C1=C)C(C)CCCO)C

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isomeric SMILES

C=C1C(=O)O[C@@H]2CC(C)=C([C@@H](C)CCCO)[C@@H](OC(=O)CC(C)C)[C@H]12

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found in taxon

Inula japonica

1 reference

stated in

New sesquiterpenes from Inula japonica Thunb. with their inhibitory activities against LPS-induced NO production in RAW264.7 macrophages

Inula britannica

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stated in

New sesquiterpenes from Inula japonica Thunb. with their inhibitory activities against LPS-induced NO production in RAW264.7 macrophages

Pentanema britannicum

1 reference

stated in

New sesquiterpenes from Inula japonica Thunb. with their inhibitory activities against LPS-induced NO production in RAW264.7 macrophages

Identifiers

InChI

InChI=1S/C20H30O5/c1-11(2)9-16(22)25-19-17(12(3)7-6-8-21)13(4)10-15-18(19)14(5)20(23)24-15/h11-12,15,18-19,21H,5-10H2,1-4H3/t12-,15+,18+,19+/m0/s1

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InChIKey

HOMFYBWUHHTUFJ-GGCQVYRISA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HOMFYBWUHHTUFJ-GGCQVYRISA-N

1 reference

(Q105031379)

(3aR)-3-Methylene-4alpha-(isovaleryloxy)-5beta-[(S)-1-methyl-4-hydroxybutyl]-6-methyl-2,3,3aalpha,4,7,7aalpha-hexahydrobenzofuran-2-one

Statements

Identifiers

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