(Q105207459)

English

[(4S,4aS,5S,8S,8aS)-8,8a-dihydroxy-3,4a,5-trimethyl-9-oxo-5,6,7,8-tetrahydro-4H-benzo[f][1]benzofuran-4-yl] 2-methylpropanoate

chemical compound

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instance of

type of chemical entity

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subclass of

8,8a-dihydroxy-3,4a,5-trimethyl-9-oxo-4H,5H,6H,7H,8H-naphtho[2,3-b]furan-4-yl 2-methylpropanoate

1 reference

based on heuristic

inferred from SMILES

mass

350.172938552 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(4S,4aS,5S,8S,8aR)-8,8a-dihydroxy-3,4a,5-trimethyl-9-oxo-5,6,7,8-tetrahydro-4H-benzo[f][1]benzofuran-4-yl] 2-methylpropanoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(4R,4aR,5R,8S,8aS)-8,8a-dihydroxy-3,4a,5-trimethyl-9-oxo-5,6,7,8-tetrahydro-4H-benzo[f][1]benzofuran-4-yl] 2-methylpropanoate

1 reference

based on heuristic

inferred from InChIKey

chemical formula

C₁₉H₂₆O₆

0 references

canonical SMILES

O=C(OC1C2=C(OC=C2C)C(=O)C3(O)C(O)CCC(C)C13C)C(C)C

0 references

isomeric SMILES

Cc1coc2c1[C@@H](OC(=O)C(C)C)[C@]1(C)[C@@H](C)CC[C@H](O)[C@]1(O)C2=O

0 references

found in taxon

Ligularia atroviolacea

1 reference

stated in

Phytochemical investigation and cytotoxic evaluation of the components of the medicinal plant Ligularia atroviolacea

Identifiers

InChI

InChI=1S/C19H26O6/c1-9(2)17(22)25-16-13-10(3)8-24-14(13)15(21)19(23)12(20)7-6-11(4)18(16,19)5/h8-9,11-12,16,20,23H,6-7H2,1-5H3/t11-,12-,16+,18-,19-/m0/s1

0 references

InChIKey

PEWPCEZVXROTHG-MSIVRNRISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PEWPCEZVXROTHG-MSIVRNRISA-N

(Q105207459)

[(4S,4aS,5S,8S,8aS)-8,8a-dihydroxy-3,4a,5-trimethyl-9-oxo-5,6,7,8-tetrahydro-4H-benzo[f][1]benzofuran-4-yl] 2-methylpropanoate

Statements

Identifiers

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