(Q104999167)

English

[(1R,2R,4R,5R,9S,10S,11S,13R,14S)-2-hydroxy-2,11-dimethyl-6-methylidene-7-oxo-8,12,15-trioxapentacyclo[8.5.0.01,14.05,9.011,13]pentadecan-4-yl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

guaiane sesquiterpenoid

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mass

376.152203108 dalton

1 reference

1 reference

C₂₀H₂₄O₇

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canonical SMILES

O=C(OC1CC(O)(C)C23OC3C4OC4(C)C2C5OC(=O)C(=C)C15)C(=CC)C

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isomeric SMILES

C=C1C(=O)O[C@@H]2[C@H]3[C@]4(C)O[C@@H]4[C@@H]4O[C@@]43[C@](C)(O)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12

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found in taxon

Calea solidaginea

1 reference

stated in

Two guaianolides from calea solidaginea

Identifiers

InChI

InChI=1S/C20H24O7/c1-6-8(2)16(21)24-10-7-18(4,23)20-13(12-11(10)9(3)17(22)25-12)19(5)14(26-19)15(20)27-20/h6,10-15,23H,3,7H2,1-2,4-5H3/b8-6-/t10-,11-,12+,13+,14-,15+,18-,19+,20-/m1/s1

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InChIKey

FPGJCFQRUZITFC-NKLHGVEMSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FPGJCFQRUZITFC-NKLHGVEMSA-N

(Q104999167)

[(1R,2R,4R,5R,9S,10S,11S,13R,14S)-2-hydroxy-2,11-dimethyl-6-methylidene-7-oxo-8,12,15-trioxapentacyclo[8.5.0.01,14.05,9.011,13]pentadecan-4-yl] (Z)-2-methylbut-2-enoate

Statements

Identifiers

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