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(Q81981670)
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(-)-aromadendrene
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(1aS,4aS,7aS,7bR)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene
1 reference
based on heuristic
inferred from SMILES
Alloaromadendren
1 reference
based on heuristic
inferred from SMILES
alpha-aromadendrene
1 reference
based on heuristic
inferred from SMILES
(1aR,7aR,7bS)-1,1,7-trimethyl-4-methylidene-octahydro-1aH-cyclopropa[e]azulene
1 reference
based on heuristic
inferred from SMILES
allo-aromadendrene
1 reference
based on heuristic
inferred from SMILES
(1aR,7S,7bS)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene
1 reference
based on heuristic
inferred from SMILES
mass
204.187800768
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1aR,4aR,7R,7aS,7bS)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
β-aromadendrene
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1aS,4aS,7R,7aR,7bS)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1aS,4aR,7R,7aR,7bR)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Alloaromadendrene
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1aS,4aR,7S,7aR,7bR)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene
1 reference
based on heuristic
inferred from InChI
(+)-Aromadendrene
1 reference
based on heuristic
inferred from InChI
(-)-Alloaromadendrene
1 reference
based on heuristic
inferred from InChI
(1aS,4aS,7R,7aR,7bR)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene
1 reference
based on heuristic
inferred from InChI
(+)-Alloaromadendrene
1 reference
based on heuristic
inferred from InChI
(1aR,4aR,7S,7aS,7bS)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₄
0 references
canonical SMILES
C=C1CCC2C(C3C1CCC3C)C2(C)C
0 references
isomeric SMILES
C[C@H]1CC[C@H]2[C@H]1[C@@H]3[C@@H](C3(C)C)CCC2=C
0 references
found in taxon
Cassinia laevis
1 reference
stated in
Sesquiterpene lactones and other constituents from Cassinia, actinobole and an axeton species
Cassinia uncata
1 reference
stated in
Sesquiterpene lactones and other constituents from Cassinia, actinobole and an axeton species
Nassauvia pygmaea
1 reference
stated in
5-methylcoumarins from Nassauvia species
Valeriana officinalis
1 reference
stated in
Essential oils from normal and hairy roots of Valeriana officinalis var. sambucifolia
Identifiers
InChI
InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10-14H,1,5-8H2,2-4H3/t10-,11+,12-,13-,14-/m0/s1
0 references
InChIKey
ITYNGVSTWVVPIC-NDKCEZKHSA-N
0 references
CAS Registry Number
14682-34-9
1 reference
InChIKey
ITYNGVSTWVVPIC-NDKCEZKHSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=14682-34-9
PubChem CID
177445
1 reference
matched by identifier from
InChIKey
InChIKey
ITYNGVSTWVVPIC-NDKCEZKHSA-N
ChEBI ID
166671
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10-14H,1,5-8H2,2-4H3/t10-,11+,12-,13-,14-/m0/s1
UniChem compound ID
16417110
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60881276
1 reference
matched by identifier from
InChIKey
InChIKey
ITYNGVSTWVVPIC-NDKCEZKHSA-N
DSSTOX compound identifier
DTXCID701022551
0 references
KNApSAcK ID
C00054379
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ITYNGVSTWVVPIC-NDKCEZKHSA-N
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