(Q105235607)

English

[(1R,2R,4R,5R,7R,9Z,11S)-4-hydroxy-4,9-dimethyl-14-methylidene-8,13-dioxo-6,12-dioxatricyclo[9.3.0.05,7]tetradec-9-en-2-yl] (E)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(1R,2R,4R,5R,9E,11S)-4-hydroxy-4,9-dimethyl-14-methylidene-8,13-dioxo-6,12-dioxatricyclo[9.3.0.0⁵,⁷]tetradec-9-en-2-yl (2E)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

(4-Hydroxy-4,9-dimethyl-14-methylidene-8,13-dioxo-6,12-dioxatricyclo[9.3.0.05,7]tetradec-9-en-2-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

376.152203108 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2R,4R,5R,7R,11S)-4-hydroxy-4,9-dimethyl-14-methylidene-8,13-dioxo-6,12-dioxatricyclo[9.3.0.05,7]tetradec-9-en-2-yl] (E)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,2R,4R,5R,7R,9E,11S)-4-hydroxy-4,9-dimethyl-14-methylidene-8,13-dioxo-6,12-dioxatricyclo[9.3.0.05,7]tetradec-9-en-2-yl] (E)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChIKey

1 reference

C₂₀H₂₄O₇

0 references

canonical SMILES

O=C(OC1CC(O)(C)C2OC2C(=O)C(=CC3OC(=O)C(=C)C31)C)C(=CC)C

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isomeric SMILES

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

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found in taxon

Eupatorium luchuense

1 reference

stated in

Cytotoxic sesquiterpene lactones from Eupatorium kiirunense, a coastal plant of Taiwan.

Identifiers

InChI

InChI=1S/C20H24O7/c1-6-9(2)18(22)26-13-8-20(5,24)17-16(27-17)15(21)10(3)7-12-14(13)11(4)19(23)25-12/h6-7,12-14,16-17,24H,4,8H2,1-3,5H3/b9-6+,10-7-/t12-,13+,14-,16-,17+,20+/m0/s1

0 references

InChIKey

RFSYEWLTJLURJR-GPSFEMRQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RFSYEWLTJLURJR-GPSFEMRQSA-N

(Q105235607)

[(1R,2R,4R,5R,7R,9Z,11S)-4-hydroxy-4,9-dimethyl-14-methylidene-8,13-dioxo-6,12-dioxatricyclo[9.3.0.05,7]tetradec-9-en-2-yl] (E)-2-methylbut-2-enoate

Statements

Identifiers

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