(Q115946435)

English

2,3,5,6,8,8a-Hexahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one

group of stereoisomers with the chemical formula C₁₃H₂₀O₂

In more languages

Statements

group of stereoisomers

0 references

1 reference

based on heuristic

inferred from SMILES

208.14632988 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₃H₂₀O₂

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canonical SMILES

O=C1CC2(OC(C)CC=C2C(C)(C)C1)C

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Nicotiana tabacum

1 reference

A Chemical Study of Burley Tobacco Flavour (Nicotiana tabacum L.). I. Volatile to medium-volatile constituents (b.p. ≦ 84°/0.001 Torr

Identifiers

InChI=1S/C13H20O2/c1-9-5-6-11-12(2,3)7-10(14)8-13(11,4)15-9/h6,9H,5,7-8H2,1-4H3

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PYUYJSFTZPYHDW-UHFFFAOYSA-N

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2 references

2 January 2023

based on heuristic

inferred from InChIKey

matched by identifier from

PYUYJSFTZPYHDW-UHFFFAOYSA-N

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C13H20O2/c1-9-5-6-11-12(2,3)7-10(14)8-13(11,4)15-9/h6,9H,5,7-8H2,1-4H3

UniChem compound ID

1 reference

DSSTox substance ID

DTXSID601167637

1 reference

matched by identifier from

PYUYJSFTZPYHDW-UHFFFAOYSA-N

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

PYUYJSFTZPYHDW-UHFFFAOYSA-N

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

PYUYJSFTZPYHDW-UHFFFAOYSA-N

1 reference

matched by identifier from

PYUYJSFTZPYHDW-UHFFFAOYSA-N

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