(Q105126262)

English

[(4S,4aR,5S)-3,4a,5-trimethyl-7-oxo-4,5,6,9-tetrahydrobenzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate

chemical compound

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type of chemical entity

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subclass of

(3,4a,5-Trimethyl-7-oxo-4,5,6,9-tetrahydrobenzo[f][1]benzofuran-4-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

328.167459248 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₄O₄

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canonical SMILES

O=C(OC1C2=C(OC=C2C)CC3=CC(=O)CC(C)C31C)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2CC2=CC(=O)C[C@H](C)[C@]21C

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found in taxon

Ligularia virgaurea

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stated in

Chemical constituents of Ligularia virgaurea and its diversity in southwestern Sichuan of China

Identifiers

InChI

InChI=1S/C20H24O4/c1-6-11(2)19(22)24-18-17-12(3)10-23-16(17)9-14-8-15(21)7-13(4)20(14,18)5/h6,8,10,13,18H,7,9H2,1-5H3/b11-6-/t13-,18+,20+/m0/s1

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InChIKey

JEONCFNJWWERCQ-OLQHVUIGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JEONCFNJWWERCQ-OLQHVUIGSA-N

(Q105126262)

[(4S,4aR,5S)-3,4a,5-trimethyl-7-oxo-4,5,6,9-tetrahydrobenzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate

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