(5R)-2,6,10,10-Tetramethyl-1-oxaspiro[4.5]deca-2,6-dien-8-one (Q82735487)

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chemical compound

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Language	Label	Description	Also known as
English	(5R)-2,6,10,10-Tetramethyl-1-oxaspiro[4.5]deca-2,6-dien-8-one	chemical compound

Statements

instance of

type of chemical entity

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subclass of

megastigmane

1 reference

based on heuristic

inferred from SMILES

mass

206.130679816 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

(+)-α-phellandrene

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₃H₁₈O₂

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canonical SMILES

CC1=CCC2(O1)C(C)=CC(=O)CC2(C)C

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC1=CC[C@]2(O1)C(=CC(=O)CC2(C)C)C

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Identifiers

InChI

InChI=1S/C13H18O2/c1-9-7-11(14)8-12(3,4)13(9)6-5-10(2)15-13/h5,7H,6,8H2,1-4H3/t13-/m0/s1

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InChIKey

PYBOFDINXIGETR-ZDUSSCGKSA-N

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CAS Registry Number

188745-87-1

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PubChem CID

71348468

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matched by identifier from

InChIKey

InChIKey

PYBOFDINXIGETR-ZDUSSCGKSA-N

UniChem compound ID

51746964

1 reference

stated in

UniChem

DSSTox substance ID

DTXSID50774365

1 reference

matched by identifier from

InChIKey

InChIKey

PYBOFDINXIGETR-ZDUSSCGKSA-N

DSSTOX compound identifier

DTXCID80725108

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