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(Q105325614)
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English
(4aS,9R,10aR)-6-hydroxy-7-isopropyl-1,1,4a-trimethyl-5,8-dioxo-2,3,4,9,10,10a-hexahydrophenanthren-9-yl acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
6-hydroxy-7-isopropyl-1,1,4a-trimethyl-5,8-dioxo-2,3,4,9,10,10a-hexahydrophenanthren-9-yl acetate
1 reference
based on heuristic
inferred from SMILES
mass
374.20932406
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(4aS,9S,10aS)-6-hydroxy-7-isopropyl-1,1,4a-trimethyl-5,8-dioxo-2,3,4,9,10,10a-hexahydrophenanthren-9-yl acetate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(4aS,9R,10aS)-6-hydroxy-7-isopropyl-1,1,4a-trimethyl-5,8-dioxo-2,3,4,9,10,10a-hexahydrophenanthren-9-yl acetate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₂H₃₀O₅
0 references
canonical SMILES
O=C1C(=C(O)C(=O)C2=C1C(OC(=O)C)CC3C2(C)CCCC3(C)C)C(C)C
0 references
isomeric SMILES
CC(=O)O[C@@H]1C[C@@H]2C(C)(C)CCC[C@]2(C)C2=C1C(=O)C(C(C)C)=C(O)C2=O
0 references
found in taxon
Salvia blepharochlaena
1 reference
stated in
Antibacterial Diterpenes from the Roots ofSalviablepharochlaena
Identifiers
InChI
InChI=1S/C22H30O5/c1-11(2)15-18(24)16-13(27-12(3)23)10-14-21(4,5)8-7-9-22(14,6)17(16)20(26)19(15)25/h11,13-14,25H,7-10H2,1-6H3/t13-,14-,22+/m1/s1
0 references
InChIKey
XDBVTCDGDQLEKG-SOHPYSCWSA-N
0 references
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