(Q104990625)

English

[(1S,2S,4R,7E,10S,11R)-4,8-dimethyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-10-yl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(4,8-Dimethyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-10-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

346.178023932 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2S,4S,7E,10S,11R)-4,8-dimethyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-10-yl] (Z)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,2S,4R,7E,10R,11R)-4,8-dimethyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-10-yl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

[(1S,2R,4R,7E,10R,11R)-4,8-dimethyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-10-yl] (E)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

[(1S,2S,4R,7E,10R,11R)-4,8-dimethyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-10-yl] (E)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₆O₅

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canonical SMILES

O=C(OC1CC(=CCCC2(OC2C3OC(=O)C(=C)C13)C)C)C(=CC)C

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isomeric SMILES

C=C1C(=O)O[C@@H]2[C@@H]3O[C@]3(C)CC/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12

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found in taxon

Rhodanthe propinqua

1 reference

stated in

Sesquiterpene lactones and other constituents from Australian Helipterum species

Identifiers

InChI

InChI=1S/C20H26O5/c1-6-12(3)18(21)23-14-10-11(2)8-7-9-20(5)17(25-20)16-15(14)13(4)19(22)24-16/h6,8,14-17H,4,7,9-10H2,1-3,5H3/b11-8+,12-6-/t14-,15+,16-,17-,20+/m0/s1

0 references

InChIKey

DWNHGPRUSBRDRF-BAWAYCLUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DWNHGPRUSBRDRF-BAWAYCLUSA-N

(Q104990625)

[(1S,2S,4R,7E,10S,11R)-4,8-dimethyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-10-yl] (Z)-2-methylbut-2-enoate

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Identifiers

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