(Q105234378)

English

(Z)-2-Methyl-2-butenoic acid [(3aR,4aalpha,9abeta)-dodecahydro-2-oxo-3-methylene-5,8abeta-dimethyl-5alpha,8beta-dihydroxynaphtho[2,3-b]furan]-4alpha-yl ester

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

5,8-dihydroxy-5,8a-dimethyl-3-methylidene-2-oxo-octahydronaphtho[2,3-b]furan-4-yl 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

364.188588616 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aR,4S,4aS,5S,8R,8aR,9aS)-5,8-dihydroxy-5,8a-dimethyl-3-methylidene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-4-yl] (E)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChIKey

Tanapsin

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3aR,4S,4aS,5R,8R,8aR,9aS)-5,8-dihydroxy-5,8a-dimethyl-3-methylidene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-4-yl] (E)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₆

0 references

canonical SMILES

O=C(OC1C2C(=C)C(=O)OC2CC3(C)C(O)CCC(O)(C)C13)C(=CC)C

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isomeric SMILES

C=C1C(=O)O[C@H]2C[C@]3(C)[C@@H]([C@@H](OC(=O)/C(C)=C\C)[C@H]12)[C@](C)(O)CC[C@H]3O

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found in taxon

Brocchia cinerea

2 references

stated in

Further glaucolides and other sesquiterpene lactones from Brocchia cinerea

stated in

Glaucolide-like sesquiterpene lactones from Cotula cinerea

Cotula cinerea

2 references

stated in

Further glaucolides and other sesquiterpene lactones from Brocchia cinerea

stated in

Glaucolide-like sesquiterpene lactones from Cotula cinerea

Cotula cinereum

2 references

stated in

Glaucolide-like sesquiterpene lactones from Cotula cinerea

stated in

Further glaucolides and other sesquiterpene lactones from Brocchia cinerea

Identifiers

InChI

InChI=1S/C20H28O6/c1-6-10(2)17(22)26-15-14-11(3)18(23)25-12(14)9-19(4)13(21)7-8-20(5,24)16(15)19/h6,12-16,21,24H,3,7-9H2,1-2,4-5H3/b10-6-/t12-,13+,14+,15-,16+,19-,20+/m0/s1

0 references

InChIKey

RDPOODRUMBKGIJ-KLLJPUALSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RDPOODRUMBKGIJ-KLLJPUALSA-N

1 reference

(Q105234378)

(Z)-2-Methyl-2-butenoic acid [(3aR,4aalpha,9abeta)-dodecahydro-2-oxo-3-methylene-5,8abeta-dimethyl-5alpha,8beta-dihydroxynaphtho[2,3-b]furan]-4alpha-yl ester

Statements

Identifiers

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