(Q105167279)

English

[(3aS,4S,7S,8aR)-7-methyl-3-methylidene-2-oxo-6-(3-oxobutyl)-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-4-yl] acetate

chemical compound

In more languages

Statements

type of chemical entity

0 references

[7-methyl-3-methylidene-2-oxo-6-(3-oxobutyl)-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-4-yl] acetate

1 reference

based on heuristic

inferred from SMILES

306.146723804 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aS,4S,7S,8aS)-7-methyl-3-methylidene-2-oxo-6-(3-oxobutyl)-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-4-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3aS,4S,7R,8aS)-7-methyl-3-methylidene-2-oxo-6-(3-oxobutyl)-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-4-yl] acetate

1 reference

based on heuristic

inferred from InChI

inuchinenolide A

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₂O₅

0 references

canonical SMILES

O=C1OC2CC(C(=CC(OC(=O)C)C2C1=C)CCC(=O)C)C

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isomeric SMILES

C=C1C(=O)O[C@@H]2C[C@H](C)C(CCC(C)=O)=C[C@H](OC(C)=O)[C@@H]12

0 references

Inula britannica

1 reference

Seven sesquiterpene lactones from Inula britannica var. chinensis

Identifiers

InChI=1S/C17H22O5/c1-9-7-14-16(11(3)17(20)22-14)15(21-12(4)19)8-13(9)6-5-10(2)18/h8-9,14-16H,3,5-7H2,1-2,4H3/t9-,14+,15-,16-/m0/s1

0 references

MLXCWANLSPBFEG-MQEKWNBNSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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