(Q105264000)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

6-Ethenyl-3-(hydroxymethyl)-6-methyl-5-(2-methyloxiran-2-yl)-4,5,7,7a-tetrahydro-1-benzofuran-2-one

1 reference

based on heuristic

inferred from SMILES

mass

264.13615912 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₀O₄

0 references

canonical SMILES

O=C1OC2C(=C1CO)CC(C3(OC3)C)C(C=C)(C)C2

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isomeric SMILES

C=C[C@]1(C)C[C@@H]2OC(=O)C(CO)=C2C[C@H]1[C@@]1(C)CO1

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found in taxon

Inula macrophylla

1 reference

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/C15H20O4/c1-4-14(2)6-11-9(10(7-16)13(17)19-11)5-12(14)15(3)8-18-15/h4,11-12,16H,1,5-8H2,2-3H3/t11-,12+,14+,15+/m0/s1

0 references

InChIKey

SZCVYRMBUHRYRY-CTHBEMJXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SZCVYRMBUHRYRY-CTHBEMJXSA-N

(Q105264000)

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

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