(Q104964023)

English

2-Butenoic acid, 3-methyl-, 9,10-dihydro-10-hydroxy-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl ester, cis-

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(10-Hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) 3-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

344.12598836 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₉H₂₀O₆

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canonical SMILES

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

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isomeric SMILES

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

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found in taxon

Peucedanum japonicum

1 reference

stated in

Dihydropyranocoumarins from Peucedanum japonicum

Identifiers

InChI

InChI=1S/C19H20O6/c1-10(2)9-14(21)24-18-16(22)15-12(25-19(18,3)4)7-5-11-6-8-13(20)23-17(11)15/h5-9,16,18,22H,1-4H3/t16-,18-/m0/s1

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InChIKey

CLVZIESVQOWZKS-WMZOPIPTSA-N

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CAS Registry Number

72463-78-6

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stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CLVZIESVQOWZKS-WMZOPIPTSA-N

DSSTox substance ID

DTXSID301105143

1 reference

matched by identifier from

InChIKey

CLVZIESVQOWZKS-WMZOPIPTSA-N

(Q104964023)

2-Butenoic acid, 3-methyl-, 9,10-dihydro-10-hydroxy-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl ester, cis-

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