(Q105278957)

English

[(3aS,5aR,6S,8R,8aR,9aR)-8-hydroxy-5,8-dimethyl-1-methylidene-2-oxo-5a,6,7,8a,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-6-yl] acetate

chemical compound

In more languages

Statements

type of chemical entity

0 references

guaiane sesquiterpenoid

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306.146723804 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aR,5aS,6S,8R,8aR,9aR)-8-hydroxy-5,8-dimethyl-1-methylidene-2-oxo-5a,6,7,8a,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-6-yl] acetate

1 reference

based on heuristic

inferred from InChI

[(3aR,5aR,6S,8R,8aR,9aR)-8-hydroxy-5,8-dimethyl-1-methylidene-2-oxo-5a,6,7,8a,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-6-yl] acetate

1 reference

based on heuristic

inferred from InChI

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₂O₅

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canonical SMILES

O=C1OC2C=C(C)C3C(OC(=O)C)CC(O)(C)C3CC2C1=C

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isomeric SMILES

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

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Inula britannica

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Seven sesquiterpene lactones from Inula britannica var. chinensis

Pentanema britannicum

1 reference

Seven sesquiterpene lactones from Inula britannica var. chinensis

Identifiers

InChI=1S/C17H22O5/c1-8-5-13-11(9(2)16(19)22-13)6-12-15(8)14(21-10(3)18)7-17(12,4)20/h5,11-15,20H,2,6-7H2,1,3-4H3/t11-,12-,13+,14+,15+,17-/m1/s1

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UTPGJEROJZHISI-AGCIWZEPSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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