(Q105314963)

English

[(2R)-3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-4-yl)oxybutan-2-yl] (E)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[3-Hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-4-yl)oxybutan-2-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

386.136553044 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2R)-3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-4-yl)oxybutan-2-yl] 2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

1 reference

(R,Z)-3-Hydroxy-3-methyl-1-((7-oxo-7H-furo[3,2-g]chromen-4-yl)oxy)butan-2-yl 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₂O₇

0 references

canonical SMILES

O=C1OC=2C=C3OC=CC3=C(OCC(OC(=O)C(=CC)C)C(O)(C)C)C2C=C1

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isomeric SMILES

C/C=C(\C)C(=O)O[C@H](COc1c2ccoc2cc2oc(=O)ccc12)C(C)(C)O

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found in taxon

Angelica archangelica

1 reference

stated in

Steroids, chromone and coumarins from angelica officinalis

Imperatoria ostruthium

1 reference

stated in

Ueber die Inhaltsstoffe der Rhizoma Imperatoriae

Peucedanum ostruthium

1 reference

stated in

Ueber die Inhaltsstoffe der Rhizoma Imperatoriae

Identifiers

InChI

InChI=1S/C21H22O7/c1-5-12(2)20(23)28-17(21(3,4)24)11-26-19-13-6-7-18(22)27-16(13)10-15-14(19)8-9-25-15/h5-10,17,24H,11H2,1-4H3/b12-5+/t17-/m1/s1

0 references

InChIKey

WXULKGXQMWVWMP-UPKKBRNCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WXULKGXQMWVWMP-UPKKBRNCSA-N

1 reference

(Q105314963)

[(2R)-3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-4-yl)oxybutan-2-yl] (E)-2-methylbut-2-enoate

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