(Q105139958)

English

Acetic acid 2-[7-acetoxy-6-(5-acetoxy-6-methoxy-3-phenyl-benzofuran-2-ylmethyl)-chroman-3-yl]-5-methoxy-phenyl ester

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-{[7-(acetyloxy)-3-[2-(acetyloxy)-4-methoxyphenyl]-3,4-dihydro-2H-1-benzopyran-6-yl]methyl}-6-methoxy-3-phenyl-1-benzofuran-5-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

650.215197288 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₈H₃₄O₁₀

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canonical SMILES

O=C(OC1=CC2=C(OC(=C2C=3C=CC=CC3)CC=4C=C5C(OCC(C6=CC=C(OC)C=C6OC(=O)C)C5)=CC4OC(=O)C)C=C1OC)C

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isomeric SMILES

COc1ccc([C@H]2COc3cc(OC(C)=O)c(Cc4oc5cc(OC)c(OC(C)=O)cc5c4-c4ccccc4)cc3C2)c(OC(C)=O)c1

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found in taxon

Dalbergia nitidula

1 reference

stated in

An isoflavanoid-neoflavonoid and an O-methylated isoflavone from the heartwood of Dalbergia nitidula

Identifiers

InChI

InChI=1S/C38H34O10/c1-21(39)45-32-18-31-25(14-27(20-44-31)29-12-11-28(42-4)16-33(29)46-22(2)40)13-26(32)15-37-38(24-9-7-6-8-10-24)30-17-36(47-23(3)41)35(43-5)19-34(30)48-37/h6-13,16-19,27H,14-15,20H2,1-5H3/t27-/m1/s1

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InChIKey

KEGSFLLLCSVPJK-HHHXNRCGSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

KEGSFLLLCSVPJK-HHHXNRCGSA-N

1 reference

NMRShiftDB structure ID

2368

1 reference

matched by identifier from

InChIKey

KEGSFLLLCSVPJK-HHHXNRCGSA-N

(Q105139958)

Acetic acid 2-[7-acetoxy-6-(5-acetoxy-6-methoxy-3-phenyl-benzofuran-2-ylmethyl)-chroman-3-yl]-5-methoxy-phenyl ester

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