(Q105137303)

English

[(1aR,4S,4aS,7R,7aS,7bS)-4-hydroxy-1,1,7-trimethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-yl]methyl acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

{4-hydroxy-1,1,7-trimethyl-octahydro-1aH-cyclopropa[e]azulen-4-yl}methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

280.203844756 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₇H₂₈O₃

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canonical SMILES

O=C(OCC1(O)CCC2C(C3C(C)CCC31)C2(C)C)C

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isomeric SMILES

CC(=O)OC[C@]1(O)CC[C@@H]2[C@H]([C@H]3[C@@H]1CC[C@H]3C)C2(C)C

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found in taxon

Pulicaria paludosa

1 reference

stated in

Sesquiterpenoids and phenolics of Pulicaria paludosa

Identifiers

InChI

InChI=1S/C17H28O3/c1-10-5-6-12-14(10)15-13(16(15,3)4)7-8-17(12,19)9-20-11(2)18/h10,12-15,19H,5-9H2,1-4H3/t10-,12+,13-,14-,15-,17-/m1/s1

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InChIKey

JYZIPZKRKHLVER-AVAPOPCVSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JYZIPZKRKHLVER-AVAPOPCVSA-N

(Q105137303)

[(1aR,4S,4aS,7R,7aS,7bS)-4-hydroxy-1,1,7-trimethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-yl]methyl acetate

Statements

Identifiers

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