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(Q105217706)
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English
7-(2-Methoxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
group of stereoisomers with the chemical formula C₂₁H₃₀O₃
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Statements
instance of
group of stereoisomers
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subclass of
abietane diterpenoid
1 reference
inferred from
abietane diterpenoid
mass
330.2194948199999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₃₀O₃
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canonical SMILES
O=C(O)C1(C)CCCC2(C3=CC=C(C=C3CCC12)C(OC)(C)C)C
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Identifiers
InChI
InChI=1S/C21H30O3/c1-19(2,24-5)15-8-9-16-14(13-15)7-10-17-20(16,3)11-6-12-21(17,4)18(22)23/h8-9,13,17H,6-7,10-12H2,1-5H3,(H,22,23)
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InChIKey
QBAITYMIZWFOLG-UHFFFAOYSA-N
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PubChem CID
75179805
1 reference
based on heuristic
inferred from InChIKey
UniChem compound ID
80115479
1 reference
stated in
UniChem
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