(Q105365044)

English

[(1S,2R,4R,7R,8S,10R,11R)-7-hydroxy-4,8-dimethyl-12-methylidene-5,13-dioxo-3,14-dioxatricyclo[9.3.0.02,4]tetradecan-10-yl] 2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

germacrane sesquiterpenoid

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mass

378.167853172 dalton

1 reference

1 reference

C₂₀H₂₆O₇

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canonical SMILES

O=C(OC1CC(C)C(O)CC(=O)C2(OC2C3OC(=O)C(=C)C13)C)C(=CC)C

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isomeric SMILES

C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)C(C)=CC)C[C@H](C)[C@H](O)CC(=O)[C@]1(C)O[C@H]21

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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/C20H26O7/c1-6-9(2)18(23)25-13-7-10(3)12(21)8-14(22)20(5)17(27-20)16-15(13)11(4)19(24)26-16/h6,10,12-13,15-17,21H,4,7-8H2,1-3,5H3/t10-,12+,13+,15+,16-,17+,20-/m0/s1

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InChIKey

YUWCUOUEUVQUHS-YAHAMXPUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YUWCUOUEUVQUHS-YAHAMXPUSA-N

(Q105365044)

[(1S,2R,4R,7R,8S,10R,11R)-7-hydroxy-4,8-dimethyl-12-methylidene-5,13-dioxo-3,14-dioxatricyclo[9.3.0.02,4]tetradecan-10-yl] 2-methylbut-2-enoate

Statements

Identifiers

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