(Q105304453)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

346.178023932 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₆O₅

0 references

canonical SMILES

O=C(OC1C2=C(OC=C2C)C(=O)C3CCC(O)C(C)C13C)C=C(C)C

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isomeric SMILES

CC(C)=CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CC[C@@H](O)[C@H](C)[C@@]12C

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found in taxon

Telanthophora grandifolia

1 reference

stated in

Further pyrrolizidine alkaloids and furoeremophilanes from Senecio species

Identifiers

InChI

InChI=1S/C20H26O5/c1-10(2)8-15(22)25-19-16-11(3)9-24-18(16)17(23)13-6-7-14(21)12(4)20(13,19)5/h8-9,12-14,19,21H,6-7H2,1-5H3/t12-,13-,14+,19+,20+/m0/s1

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InChIKey

WGFFJGFLKWMSGK-CAAOKMNWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WGFFJGFLKWMSGK-CAAOKMNWSA-N

(Q105304453)

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

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