(Q105035891)

English

[(E)-3-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-(3-methylbutanoyloxymethyl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enyl] 3-methylbutanoate

chemical compound

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instance of

type of chemical entity

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subclass of

3-[2-(4-Hydroxy-3-methoxyphenyl)-7-methoxy-3-(3-methylbutanoyloxymethyl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enyl 3-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

526.256668176 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₃₈O₈

0 references

canonical SMILES

O=C(OCC=CC1=CC(OC)=C2OC(C3=CC=C(O)C(OC)=C3)C(C2=C1)COC(=O)CC(C)C)CC(C)C

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isomeric SMILES

COc1cc([C@@H]2Oc3c(OC)cc(/C=C/COC(=O)CC(C)C)cc3[C@@H]2COC(=O)CC(C)C)ccc1O

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found in taxon

Tanacetum sinaicum

1 reference

stated in

Malabaricane derivatives from Pyrethrum santolinoides

Identifiers

InChI

InChI=1S/C30H38O8/c1-18(2)12-27(32)36-11-7-8-20-14-22-23(17-37-28(33)13-19(3)4)29(38-30(22)26(15-20)35-6)21-9-10-24(31)25(16-21)34-5/h7-10,14-16,18-19,23,29,31H,11-13,17H2,1-6H3/b8-7+/t23-,29-/m0/s1

0 references

InChIKey

HZUKVQHPHZPOEM-JZFGBUPPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HZUKVQHPHZPOEM-JZFGBUPPSA-N

(Q105035891)

[(E)-3-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-(3-methylbutanoyloxymethyl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enyl] 3-methylbutanoate

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