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(Q105124686)
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English
(1S,5R,9S,13R)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carbaldehyde
group of stereoisomers with the chemical formula C₂₀H₃₀O
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Statements
instance of
group of stereoisomers
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subclass of
kaurane diterpenoid
1 reference
inferred from
kaurane diterpenoid
mass
286.22966558
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₀H₃₀O
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canonical SMILES
O=CC1(C)CCCC2(C)C1CCC34CC(=C)C(CCC32)C4
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isomeric SMILES
C=C1C[C@@]23CCC4[C@@](C)(CCC[C@@]4(C)C=O)C2CC[C@@H]1C3
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Identifiers
InChI
InChI=1S/C20H30O/c1-14-11-20-10-7-16-18(2,13-21)8-4-9-19(16,3)17(20)6-5-15(14)12-20/h13,15-17H,1,4-12H2,2-3H3/t15-,16?,17?,18+,19-,20-/m1/s1
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InChIKey
JCAVDWHQNFTFBW-AREIPDIZSA-N
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PubChem CID
118701467
1 reference
based on heuristic
inferred from InChIKey
UniChem compound ID
145245640
1 reference
stated in
UniChem
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