(Q104945500)

English

[2-ethyl-3-methyl-6-oxo-5-[[2,4,6-triacetyloxy-3-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-[(2R)-2-methylbutanoyl]phenyl]methyl]pyran-4-yl] acetate

chemical compound

In more languages

Statements

type of chemical entity

0 references

[2-Ethyl-3-methyl-6-oxo-5-[[2,4,6-triacetyloxy-3-(3,7-dimethylocta-2,6-dienyl)-5-(2-methylbutanoyl)phenyl]methyl]pyran-4-yl] acetate

1 reference

based on heuristic

inferred from SMILES

680.319662356 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₈H₄₈O₁₁

0 references

canonical SMILES

O=C1OC(=C(C(OC(=O)C)=C1CC=2C(OC(=O)C)=C(C(=O)C(C)CC)C(OC(=O)C)=C(C2OC(=O)C)CC=C(C)CCC=C(C)C)C)CC

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isomeric SMILES

CCc1oc(=O)c(Cc2c(OC(C)=O)c(C/C=C(\C)CCC=C(C)C)c(OC(C)=O)c(C(=O)[C@H](C)CC)c2OC(C)=O)c(OC(C)=O)c1C

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Achyrocline alata

1 reference

A new labdane derivative and geranylphloroglucinols from Achyrocline alata

Identifiers

InChI=1S/C38H48O11/c1-12-22(6)33(43)32-36(47-26(10)41)28(18-17-21(5)16-14-15-20(3)4)35(46-25(9)40)29(37(32)48-27(11)42)19-30-34(45-24(8)39)23(7)31(13-2)49-38(30)44/h15,17,22H,12-14,16,18-19H2,1-11H3/b21-17+/t22-/m1/s1

0 references

BTBAMGHCMIUGHZ-STLXWTDXSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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