(Q104977080)

English

(E)-2-Methyl-2-butenoic acid [(2R)-2alpha-isopropenyl-5-acetyl-6-hydroxy-2,3-dihydrobenzofuran]-3alpha-yl ester

chemical compound

In more languages

Statements

type of chemical entity

0 references

1 reference

based on heuristic

inferred from SMILES

(5-Acetyl-6-hydroxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-3-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

316.13107374 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2R,3R)-5-acetyl-6-hydroxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-3-yl] (Z)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

2beta-Isopropenyl-3alpha-[(Z)-2-methyl-2-butenoyloxy]-5-acetyl 2,3-dihydrobenzofuran-6-ol

1 reference

based on heuristic

inferred from InChI

(2R,3S)-5-acetyl-6-hydroxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-3-yl (2Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

2beta-Isopropenyl-3beta-[(Z)-2-methyl-2-butenoyloxy]-5-acetyl 2,3-dihydrobenzofuran-6-ol

1 reference

based on heuristic

inferred from InChI

[(2R,3S)-5-acetyl-6-hydroxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-3-yl] (E)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₈H₂₀O₅

0 references

canonical SMILES

O=C(OC1C2=CC(=C(O)C=C2OC1C(=C)C)C(=O)C)C(=CC)C

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isomeric SMILES

C=C(C)[C@H]1Oc2cc(O)c(C(C)=O)cc2[C@H]1OC(=O)/C(C)=C/C

0 references

Eutrochium purpureum var. purpureum

1 reference

Cistifolin, an integrin-dependent cell adhesion blocker from the anti-rheumatic herbal drug, gravel root (rhizome of Eupatorium purpureum)

Identifiers

InChI=1S/C18H20O5/c1-6-10(4)18(21)23-17-13-7-12(11(5)19)14(20)8-15(13)22-16(17)9(2)3/h6-8,16-17,20H,2H2,1,3-5H3/b10-6+/t16-,17-/m1/s1

0 references

DECAFQNQVVPXBG-DTIZEGCPSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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