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(Q105282487)
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English
Parviflorone A
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(5-hydroxy-7-isopropyl-1,4a-dimethyl-6-oxo-3,4-dihydro-2H-phenanthren-1-yl)methyl 3-methylbut-2-enoate
1 reference
based on heuristic
inferred from SMILES
mass
396.230059504
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(1R,4aR)-5-hydroxy-1,4a-dimethyl-6-oxo-7-propan-2-yl-3,4-dihydro-2H-phenanthren-1-yl]methyl 3-methylbut-2-enoate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₅H₃₂O₄
0 references
canonical SMILES
O=C(OCC1(C2=CC=C3C=C(C(=O)C(O)=C3C2(C)CCC1)C(C)C)C)C=C(C)C
0 references
isomeric SMILES
CC(C)=CC(=O)OC[C@@]1(C)CCC[C@@]2(C)C1=CC=C1C=C(C(C)C)C(=O)C(O)=C12
0 references
found in taxon
Plectranthus parviflorus
1 reference
stated in
Diterpenoide Drüsenfarbstoffe aus Labiaten: 6 neuep-Chinomethane aus Plectranthus parviflorus WILLD
Plectranthus purpuratus
1 reference
stated in
Diterpenoide Chinomethane, vinyloge Chinone und ein Phyllocladan-Derivat ausPlectranthus purpuratusHARV. (Labiatae)
Plectranthus strigosus
1 reference
stated in
Diterpenoide Drüsenfarbstoffe aus Labiaten: 6 neuep-Chinomethane aus Plectranthus parviflorus WILLD
Identifiers
InChI
InChI=1S/C25H32O4/c1-15(2)12-20(26)29-14-24(5)10-7-11-25(6)19(24)9-8-17-13-18(16(3)4)22(27)23(28)21(17)25/h8-9,12-13,16,28H,7,10-11,14H2,1-6H3/t24-,25+/m1/s1
0 references
InChIKey
UZURPRBJKYMPJJ-RPBOFIJWSA-N
0 references
PubChem CID
21591444
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
63764036
1 reference
stated in
UniChem
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