(Q105347953)

English

[(1R,2R,8Ar)-1,8a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,8-tetrahydro-1H-naphthalen-2-yl] (Z)-3-methylsulfanylprop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(1,8a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,8-tetrahydro-1H-naphthalen-2-yl) 3-methylsulfanylprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

334.160265692 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₆O₃S

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canonical SMILES

O=C(OC1CCC2=CC(=O)C(=C(C)C)CC2(C)C1C)C=CSC

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isomeric SMILES

CS/C=C\C(=O)O[C@@H]1CCC2=CC(=O)C(=C(C)C)C[C@]2(C)[C@H]1C

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found in taxon

Petasites hybridus

4 references

stated in

Differential and stereoselective in vitro cytotoxicity of eremophilane sesquiterpenes of Petasites hybridus rhizomes in rat hepatocytes.

stated in

New Eremophilane Sesquiterpenes from a Rhizome Extract ofPetasites hybridus

stated in

Absolute configuration of eremophilane sesquiterpenes from Petasites hybridus: comparison of experimental and calculated circular dichroism spectra.

stated in

Struktur der Sesquiterpene vonPetasites hybridus(L.)G. M.etSCH.: Petasol- und Isopetasol-Abkömmlinge

Identifiers

InChI

InChI=1S/C19H26O3S/c1-12(2)15-11-19(4)13(3)17(22-18(21)8-9-23-5)7-6-14(19)10-16(15)20/h8-10,13,17H,6-7,11H2,1-5H3/b9-8-/t13-,17+,19+/m0/s1

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InChIKey

YGBHBIXCSYCCOR-XAPFYCCESA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

YGBHBIXCSYCCOR-XAPFYCCESA-N

1 reference

(Q105347953)

[(1R,2R,8Ar)-1,8a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,8-tetrahydro-1H-naphthalen-2-yl] (Z)-3-methylsulfanylprop-2-enoate

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Identifiers

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