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(Q105031672)
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English
(5-hydroxy-1,4a-dimethyl-6-oxo-7-propan-2-yl-3,4-dihydro-2H-phenanthren-1-yl)methyl 4-hydroxybenzoate
group of stereoisomers with the chemical formula C₂₇H₃₀O₅
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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
434.5251
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₃₀O₅
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canonical SMILES
O=C(OCC1(C2=CC=C3C=C(C(=O)C(O)=C3C2(C)CCC1)C(C)C)C)C4=CC=C(O)C=C4
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Identifiers
InChI
InChI=1S/C27H30O5/c1-16(2)20-14-18-8-11-21-26(3,15-32-25(31)17-6-9-19(28)10-7-17)12-5-13-27(21,4)22(18)24(30)23(20)29/h6-11,14,16,28,30H,5,12-13,15H2,1-4H3
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InChIKey
HPEFOINJABTGSR-UHFFFAOYSA-N
0 references
PubChem CID
162934993
1 reference
based on heuristic
inferred from InChIKey
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