(Q105380312)

English

[(1R,2S,4R,5R,7R,8R,11S)-4,8-dihydroxy-4,9-dimethyl-14-methylidene-13-oxo-6,12-dioxatricyclo[9.3.0.05,7]tetradec-9-en-2-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

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,2S,4R,5R,7R,8R,9Z,11S)-4,8-dihydroxy-4,9-dimethyl-14-methylidene-13-oxo-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 InChI

chemical formula

C₂₀H₂₆O₇

0 references

canonical SMILES

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

0 references

isomeric SMILES

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

0 references

found in taxon

Tithonia fruticosa

1 reference

stated in

trans-1,2-cis-4,5-Germacradienolide and other new germacranolides from Tithonia species

Identifiers

InChI

InChI=1S/C20H26O7/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/h6-7,12-17,21,24H,4,8H2,1-3,5H3/t12-,13-,14-,15+,16+,17+,20+/m0/s1

0 references

InChIKey

ZOAAAVOEQYLODT-CQVCKRJDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZOAAAVOEQYLODT-CQVCKRJDSA-N

(Q105380312)

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

Statements

Identifiers

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