(Q105326489)

English

[(3aS,6E,9S,10E,11aR)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-9-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(6,10-Dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-9-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

290.151809184 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aS,6E,9S,10Z,11aS)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-9-yl] acetate

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(3aS,6E,9R,10E,11aS)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-9-yl] acetate

1 reference

1 reference

[(3aS,6E,9S,10Z,11aR)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-9-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₂O₄

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canonical SMILES

O=C1OC2C=C(C)C(OC(=O)C)CC=C(C)CCC2C1=C

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isomeric SMILES

C=C1C(=O)O[C@@H]2/C=C(\C)[C@@H](OC(C)=O)C/C=C(\C)CC[C@@H]12

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found in taxon

Achillea nobilis

1 reference

stated in

Bisabolene derivatives and other constituents fromAchillea odorata

Achillea odorata

1 reference

stated in

Bisabolene derivatives and other constituents fromAchillea odorata

Artemisia nova

1 reference

stated in

Novanin: A germacranolide from Artemisia nova

Artemisia tripartita

1 reference

stated in

Novanin: A germacranolide from Artemisia nova

Pentzia incana

1 reference

stated in

Glaucolides, fulvenoguaianolides and other sesquiterpene lactones from Pentzia species

Aspilia silphioides

1 reference

stated in

Bisabolene derivatives and other constituents fromAchillea odorata

Wedelia silphioides

1 reference

stated in

Bisabolene derivatives and other constituents fromAchillea odorata

Identifiers

InChI

InChI=1S/C17H22O4/c1-10-5-7-14-12(3)17(19)21-16(14)9-11(2)15(8-6-10)20-13(4)18/h6,9,14-16H,3,5,7-8H2,1-2,4H3/b10-6+,11-9+/t14-,15-,16+/m0/s1

0 references

InChIKey

XENYZNVJFQEFDC-LFLWPQTJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XENYZNVJFQEFDC-LFLWPQTJSA-N

(Q105326489)

[(3aS,6E,9S,10E,11aR)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-9-yl] acetate

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Identifiers

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