(Q105154522)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

9-(acetyloxy)-8,8-dimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-10-yl 2,3-dimethyloxirane-2-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

402.131467664 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₂O₈

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canonical SMILES

O=C1OC2=C(C=C1)C=CC=3OC(C)(C)C(OC(=O)C)C(OC(=O)C4(OC4C)C)C32

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isomeric SMILES

CC(=O)O[C@H]1[C@@H](OC(=O)[C@]2(C)O[C@@H]2C)c2c(ccc3ccc(=O)oc23)OC1(C)C

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found in taxon

Krubera peregrina

1 reference

stated in

Natürlich vorkommende Cumarin-Derivate, VI. Über die Inhaltsstoffe vonCapnophyllum-Arten

Identifiers

InChI

InChI=1S/C21H22O8/c1-10-21(5,28-10)19(24)27-17-15-13(29-20(3,4)18(17)25-11(2)22)8-6-12-7-9-14(23)26-16(12)15/h6-10,17-18H,1-5H3/t10-,17+,18+,21-/m1/s1

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InChIKey

LNVSQOCOMICZRK-QIBLFXCUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LNVSQOCOMICZRK-QIBLFXCUSA-N

(Q105154522)

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

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