(Q105216266)

English

[(4aR,5R,6R,8aR)-3,4a,5-trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-6-yl] 3-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(3,4a,5-Trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-6-yl) 3-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

330.183109312 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₆O₄

0 references

canonical SMILES

O=C(OC1CCC2C(=O)C=3OC=C(C3CC2(C)C1C)C)C=C(C)C

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isomeric SMILES

CC(C)=CC(=O)O[C@@H]1CC[C@H]2C(=O)c3occ(C)c3C[C@]2(C)[C@H]1C

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found in taxon

Senecio smithii

1 reference

stated in

Furanoeremophilanes from Senecio smithii

Identifiers

InChI

InChI=1S/C20H26O4/c1-11(2)8-17(21)24-16-7-6-15-18(22)19-14(12(3)10-23-19)9-20(15,5)13(16)4/h8,10,13,15-16H,6-7,9H2,1-5H3/t13-,15-,16+,20+/m0/s1

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InChIKey

PXMQEUQSUMAFIZ-WBZSCFCESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PXMQEUQSUMAFIZ-WBZSCFCESA-N

(Q105216266)

[(4aR,5R,6R,8aR)-3,4a,5-trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-6-yl] 3-methylbut-2-enoate

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Identifiers

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