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(Q105135339)
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English
(3-Acetyloxy-7-ethenyl-2,8a,9-trihydroxy-1,1,4a,7-tetramethyl-5,8-dioxo-2,3,4,4b,6,9,10,10a-octahydrophenanthren-4-yl) benzoate
group of stereoisomers with the chemical formula C₂₉H₃₆O₉
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Statements
instance of
group of stereoisomers
0 references
subclass of
pimarane diterpenoid
1 reference
inferred from
pimarane diterpenoid
mass
528.235932732
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₉H₃₆O₉
0 references
canonical SMILES
O=C(OC1C(OC(=O)C)C(O)C(C)(C)C2CC(O)C3(O)C(=O)C(C=C)(C)CC(=O)C3C12C)C=4C=CC=CC4
0 references
found in taxon
Orthosiphon grandiflorus
1 reference
stated in
Highly-Oxygenated Isopimarane-Type Diterpenes from Orthosiphon stamineus of Indonesia and Their Nitric Oxide Inhibitory Activity.
Orthosiphon aristatus
1 reference
stated in
Highly-Oxygenated Isopimarane-Type Diterpenes from Orthosiphon stamineus of Indonesia and Their Nitric Oxide Inhibitory Activity.
Identifiers
InChI
InChI=1S/C29H36O9/c1-7-27(5)14-17(31)21-28(6)18(13-19(32)29(21,36)25(27)35)26(3,4)22(33)20(37-15(2)30)23(28)38-24(34)16-11-9-8-10-12-16/h7-12,18-23,32-33,36H,1,13-14H2,2-6H3
0 references
InChIKey
JUOHHHMQFLSSHX-UHFFFAOYSA-N
0 references
PubChem CID
162875931
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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