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English
(1R)-4,7-Dimethyl-1-(propan-2-yl)-1,2-dihydronaphthalene
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
cadinane sesquiterpenoid
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mass
200.15650064
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
alpha-calacorene
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₀
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canonical SMILES
C1=CC=2C(=CCC(C2C=C1C)C(C)C)C
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isomeric SMILES
CC1=CC[C@@H](C2=C1C=CC(=C2)C)C(C)C
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found in taxon
Cassinia laevis
1 reference
stated in
Sesquiterpene lactones and other constituents from Cassinia, actinobole and an axeton species
Thymus capitatus
1 reference
stated in
Trace constituents in the essential oil of Thymus capitatus
Thymus martinezii
1 reference
stated in
Trace constituents in the essential oil of Thymus capitatus
Thymbra capitata
1 reference
stated in
Trace constituents in the essential oil of Thymus capitatus
Identifiers
InChI
InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3/t13-/m1/s1
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InChIKey
CUUMXRBKJIDIAY-CYBMUJFWSA-N
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CAS Registry Number
168398-95-6
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PubChem CID
71353669
1 reference
matched by identifier from
InChIKey
InChIKey
CUUMXRBKJIDIAY-CYBMUJFWSA-N
UniChem compound ID
59623512
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80778391
1 reference
matched by identifier from
InChIKey
InChIKey
CUUMXRBKJIDIAY-CYBMUJFWSA-N
DSSTOX compound identifier
DTXCID10729134
0 references
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