(Q105114704)

English

(3aR,5R,6R,7aR)-6-ethenyl-6-methyl-3-methylidene-5-[(2S)-2-methyloxiran-2-yl]-4,5,7,7a-tetrahydro-3aH-1-benzofuran-2-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

6-ethenyl-6-methyl-3-methylidene-5-(2-methyloxiran-2-yl)-4,5,7,7a-tetrahydro-3aH-1-benzofuran-2-one

1 reference

based on heuristic

inferred from SMILES

mass

248.1412445 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3aR,5R,6S,7aR)-6-ethenyl-6-methyl-3-methylidene-5-[(2S)-2-methyloxiran-2-yl]-4,5,7,7a-tetrahydro-3aH-1-benzofuran-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3aR,5S,6R,7aR)-6-ethenyl-6-methyl-3-methylidene-5-[(2R)-2-methyloxiran-2-yl]-4,5,7,7a-tetrahydro-3aH-1-benzofuran-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₀O₃

0 references

canonical SMILES

O=C1OC2CC(C=C)(C)C(CC2C1=C)C3(OC3)C

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isomeric SMILES

C=C[C@@]1(C)C[C@H]2OC(=O)C(=C)[C@H]2C[C@H]1[C@@]1(C)CO1

0 references

found in taxon

Inula macrophylla

2 references

stated in

Sesquiterpenes and monoterpenes from the bark of Inula macrophylla.

stated in

Sesquiterpenes and monoterpenes from the bark of Inula macrophylla.

Inula grandis

1 reference

stated in

Sesquiterpenes and monoterpenes from the bark of Inula macrophylla.

Identifiers

InChI

InChI=1S/C15H20O3/c1-5-14(3)7-11-10(9(2)13(16)18-11)6-12(14)15(4)8-17-15/h5,10-12H,1-2,6-8H2,3-4H3/t10-,11-,12-,14+,15-/m1/s1

0 references

InChIKey

IKKGBDWJRKQCAS-MYYUVRNCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IKKGBDWJRKQCAS-MYYUVRNCSA-N

(Q105114704)

(3aR,5R,6R,7aR)-6-ethenyl-6-methyl-3-methylidene-5-[(2S)-2-methyloxiran-2-yl]-4,5,7,7a-tetrahydro-3aH-1-benzofuran-2-one

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Identifiers

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