(Q105222679)

English

3,4,4aalpha,5,6,7,8,8a-Octahydro-8alpha,8aalpha-dimethyl-3-oxonaphthalene-2-carbaldehyde

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

10beta-12,13-Dinor-8-oxo-6-eremophilen-11-al

1 reference

based on heuristic

inferred from SMILES

mass

206.130679816 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(4aS,8S,8aR)-8,8a-dimethyl-3-oxo-4,4a,5,6,7,8-hexahydronaphthalene-2-carbaldehyde

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₃H₁₈O₂

0 references

canonical SMILES

O=CC1=CC2(C)C(C)CCCC2CC1=O

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isomeric SMILES

C[C@H]1CCC[C@@H]2CC(=O)C(C=O)=C[C@]12C

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found in taxon

Petasites japonicus

1 reference

stated in

Allelopathic sesquiterpenoids from rhizomes of Petasites japonicus ssp. giganteus Kitam

Identifiers

InChI

InChI=1S/C13H18O2/c1-9-4-3-5-11-6-12(15)10(8-14)7-13(9,11)2/h7-9,11H,3-6H2,1-2H3/t9-,11+,13+/m0/s1

0 references

InChIKey

QJHOMNLQPDCBJF-UFGOTCBOSA-N

0 references

CAS Registry Number

348119-86-8

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

26 December 2021

matched by identifier from

InChIKey

QJHOMNLQPDCBJF-UFGOTCBOSA-N

1 reference

1 reference

matched by identifier from

InChIKey

QJHOMNLQPDCBJF-UFGOTCBOSA-N

(Q105222679)

3,4,4aalpha,5,6,7,8,8a-Octahydro-8alpha,8aalpha-dimethyl-3-oxonaphthalene-2-carbaldehyde

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Identifiers

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