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(Q105243509)
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English
methyl (1S,4aR,5S,8aR)-5-[(E)-6-hydroxy-4-methylhex-4-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
methyl 5-(6-hydroxy-4-methylhex-4-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
1 reference
based on heuristic
inferred from SMILES
mass
348.266445012
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₃₆O₃
0 references
canonical SMILES
O=C(OC)C1(C)CCCC2(C)C(C(=C)CCC12)CCCC(=CCO)C
0 references
isomeric SMILES
C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCC/C(C)=C/CO
0 references
found in taxon
Juniperus communis
1 reference
stated in
New natural diterpene acids from Juniperus communis
Identifiers
InChI
InChI=1S/C22H36O3/c1-16(12-15-23)8-6-9-18-17(2)10-11-19-21(18,3)13-7-14-22(19,4)20(24)25-5/h12,18-19,23H,2,6-11,13-15H2,1,3-5H3/b16-12+/t18-,19+,21+,22-/m0/s1
0 references
InChIKey
RQPSFUSQKQJYDK-KKIXBDIFSA-N
0 references
PubChem CID
162976257
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RQPSFUSQKQJYDK-KKIXBDIFSA-N
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