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(Q105345501)
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English
cembratrienol
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
4-isopropyl-1,7,11-trimethylcyclotetradeca-2,7,11-trien-1-ol
1 reference
based on heuristic
inferred from SMILES
(2E,7E,11Z)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol
1 reference
based on heuristic
inferred from SMILES
mass
290.260965708
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1S,2E,4R,7Z,11Z)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1R,2E,4S,7E,11E)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol
1 reference
based on heuristic
inferred from InChI
alpha-Cembratriene-ol
1 reference
based on heuristic
inferred from InChI
(1R,2E,4R,7E,11E)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₄O
0 references
canonical SMILES
OC1(C=CC(CCC(=CCCC(=CCC1)C)C)C(C)C)C
0 references
isomeric SMILES
C/C1=C/CC[C@@](C)(O)/C=C/[C@H](C(C)C)CC/C(C)=C\CC1
0 references
found in taxon
Nicotiana sylvestris
1 reference
stated in
Composition of the leaf surface gum of some Nicotiana species and Nicotiana tabacum cultivars
Nicotiana tabacum
1 reference
stated in
Composition of the leaf surface gum of some Nicotiana species and Nicotiana tabacum cultivars
Identifiers
InChI
InChI=1S/C20H34O/c1-16(2)19-12-11-18(4)9-6-8-17(3)10-7-14-20(5,21)15-13-19/h9-10,13,15-16,19,21H,6-8,11-12,14H2,1-5H3/b15-13+,17-10-,18-9-/t19-,20-/m1/s1
0 references
InChIKey
YAPXSYXFLHDPCK-AFTTWMLASA-N
0 references
PubChem CID
131876682
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YAPXSYXFLHDPCK-AFTTWMLASA-N
UniChem compound ID
153168168
1 reference
stated in
UniChem
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