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(Q105131772)
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English
(1S,4aS,10aR)-1,4a-dimethyl-5,8-dioxo-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbaldehyde
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
1,4a-Dimethyl-5,8-dioxo-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbaldehyde
1 reference
based on heuristic
inferred from SMILES
mass
314.188194692
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₆O₃
0 references
canonical SMILES
O=CC1(C)CCCC2(C=3C(=O)C=C(C(=O)C3CCC12)C(C)C)C
0 references
isomeric SMILES
CC(C)C1=CC(=O)C2=C(CC[C@H]3[C@@](C)(C=O)CCC[C@]23C)C1=O
0 references
found in taxon
Tripterygium wilfordii
1 reference
stated in
Tripterygium wilfordii var. regelii which are interleukin-1 inhibitors
Identifiers
InChI
InChI=1S/C20H26O3/c1-12(2)14-10-15(22)17-13(18(14)23)6-7-16-19(3,11-21)8-5-9-20(16,17)4/h10-12,16H,5-9H2,1-4H3/t16-,19+,20-/m0/s1
0 references
InChIKey
JMZHTRDGDKQYEC-DBVUQKKJSA-N
0 references
PubChem CID
9995781
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
32033001
1 reference
stated in
UniChem
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