(Q105117294)

English

[(3aR,8R,8aR,9aR)-5,8a-dimethyl-3-methylidene-2-oxo-4,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-8-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

eudesmane sesquiterpenoid

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mass

290.151809184 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₇H₂₂O₄

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canonical SMILES

O=C1OC2CC3(C(=C(C)CCC3OC(=O)C)CC2C1=C)C

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isomeric SMILES

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

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found in taxon

Eriocephalus scariosus

1 reference

stated in

Sesquiterpene lactones and other constituents from Eriocephalus species

Identifiers

InChI

InChI=1S/C17H22O4/c1-9-5-6-15(20-11(3)18)17(4)8-14-12(7-13(9)17)10(2)16(19)21-14/h12,14-15H,2,5-8H2,1,3-4H3/t12-,14-,15-,17-/m1/s1

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InChIKey

IPKISNGUERKNJL-DNNBLBMLSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IPKISNGUERKNJL-DNNBLBMLSA-N

(Q105117294)

[(3aR,8R,8aR,9aR)-5,8a-dimethyl-3-methylidene-2-oxo-4,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-8-yl] acetate

Statements

Identifiers

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