(Q105159606)

English

(9S)-8,8-Dimethyl-9beta-acetoxy-10beta-(angeloyloxy)-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one

chemical compound

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instance of

type of chemical entity

0 references

subclass of

9-(acetyloxy)-8,8-dimethyl-2-oxo-9H,10H-pyrano[2,3-h]chromen-10-yl (2E)-2-methylbut-2-enoate

1 reference

1 reference

386.136553044 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

Peucedanocoumarin III

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(9R,10S)-9-Acetoxy-10-[[(Z)-2-methyl-2-butenoyl]oxy]-8,8-dimethyl-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(9R,10S)-9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (E)-2-methylbut-2-enoate

1 reference

1 reference

1 reference

2-methyl-2-butenoic acid [(9R,10R)-9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f][1]benzopyran-10-yl] ester

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₂O₇

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canonical SMILES

O=C1OC2=C(C=C1)C=CC=3OC(C)(C)C(OC(=O)C)C(OC(=O)C(=CC)C)C32

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isomeric SMILES

C/C=C(/C)C(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@H]1OC(C)=O

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found in taxon

Peucedanum japonicum

1 reference

stated in

Coumarins and antiplatelet aggregation constituents from Formosan Peucedanum japonicum

Identifiers

InChI

InChI=1S/C21H22O7/c1-6-11(2)20(24)27-18-16-14(28-21(4,5)19(18)25-12(3)22)9-7-13-8-10-15(23)26-17(13)16/h6-10,18-19H,1-5H3/b11-6-/t18-,19-/m0/s1

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InChIKey

LYUZYPKZQDYMEE-NXIDYTHLSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LYUZYPKZQDYMEE-NXIDYTHLSA-N

1 reference

(Q105159606)

(9S)-8,8-Dimethyl-9beta-acetoxy-10beta-(angeloyloxy)-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one

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