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(Q104939073)
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English
3-[2-(1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)-1-hydroxyethyl]-2-hydroxy-2H-furan-5-one
group of stereoisomers with the chemical formula C₂₀H₃₀O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
clerodane diterpenoid
1 reference
inferred from
clerodane diterpenoid
mass
334.21440944
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₃₀O₄
0 references
canonical SMILES
O=C1OC(O)C(=C1)C(O)CC2(C)C(C)CCC3(C(=CCCC32)C)C
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Identifiers
InChI
InChI=1S/C20H30O4/c1-12-6-5-7-16-19(12,3)9-8-13(2)20(16,4)11-15(21)14-10-17(22)24-18(14)23/h6,10,13,15-16,18,21,23H,5,7-9,11H2,1-4H3
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InChIKey
BNWXVJHFKNLQQH-UHFFFAOYSA-N
0 references
PubChem CID
162962109
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BNWXVJHFKNLQQH-UHFFFAOYSA-N
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