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(Q105208858)
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English
5-(5-Hydroxy-3-methylpentyl)-1,5,6-trimethyl-2,3,4,4a,6,7-hexahydronaphthalene-1-carboxylic acid
group of stereoisomers with the chemical formula C₂₀H₃₄O₃
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Statements
instance of
group of stereoisomers
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subclass of
halimane diterpenoid
1 reference
inferred from
halimane diterpenoid
mass
322.25079494799996
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₄O₃
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canonical SMILES
O=C(O)C1(C2=CCC(C)C(C)(CCC(C)CCO)C2CCC1)C
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Identifiers
InChI
InChI=1S/C20H34O3/c1-14(10-13-21)9-12-19(3)15(2)7-8-17-16(19)6-5-11-20(17,4)18(22)23/h8,14-16,21H,5-7,9-13H2,1-4H3,(H,22,23)
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InChIKey
PHBNWBMJJWMICH-UHFFFAOYSA-N
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PubChem CID
162956322
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PHBNWBMJJWMICH-UHFFFAOYSA-N
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