(Q105150729)

English

[(1R,2R)-1,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] (2R)-2-methylbutanoate

chemical compound

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instance of

type of chemical entity

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1 reference

[1,3-Dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] 2-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

378.167853172 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₆O₇

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canonical SMILES

O=C1OC=2C=C(OC)C(=CC2C=C1)C(O)C(OC(=O)C(C)CC)C(O)(C)C

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isomeric SMILES

CC[C@@H](C)C(=O)O[C@H]([C@H](O)c1cc2ccc(=O)oc2cc1OC)C(C)(C)O

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found in taxon

Angelica pubescens

1 reference

stated in

Studies on coumarins from the root of Angelica pubescens Maxim. IV. Structures of angelol-type prenylcoumarins.

Identifiers

InChI

InChI=1S/C20H26O7/c1-6-11(2)19(23)27-18(20(3,4)24)17(22)13-9-12-7-8-16(21)26-14(12)10-15(13)25-5/h7-11,17-18,22,24H,6H2,1-5H3/t11-,17-,18-/m1/s1

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InChIKey

LEQFGQJFFOQFOZ-HWOJHCLVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LEQFGQJFFOQFOZ-HWOJHCLVSA-N

(Q105150729)

[(1R,2R)-1,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] (2R)-2-methylbutanoate

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