(Q105265668)

English

[(3aR,4R,5E,9E,11aS)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(6,10-Dimethyl-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-4-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

330.183109312 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aR,4R,5E,9E,11aS)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

[(3aR,4S,5E,9E,11aS)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₆O₄

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canonical SMILES

O=C(OC1C=C(C)CCC=C(C)CC2OC(=O)C(=C)C12)C(=CC)C

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isomeric SMILES

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

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found in taxon

Brocchia cinerea

1 reference

stated in

Further glaucolides and other sesquiterpene lactones from Brocchia cinerea

Ursinia sericea

1 reference

stated in

Sesquiterpene lactones and other constituents from Ursinia species

Identifiers

InChI

InChI=1S/C20H26O4/c1-6-14(4)19(21)23-16-10-12(2)8-7-9-13(3)11-17-18(16)15(5)20(22)24-17/h6,9-10,16-18H,5,7-8,11H2,1-4H3/b12-10+,13-9+,14-6+/t16-,17+,18+/m1/s1

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InChIKey

TVZVGKUKJBIRJK-ULWCJKCRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

TVZVGKUKJBIRJK-ULWCJKCRSA-N

(Q105265668)

[(3aR,4R,5E,9E,11aS)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate

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Identifiers

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