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(Q105174490)
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English
MajusanicacidD
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid
1 reference
based on heuristic
inferred from SMILES
mass
330.183109312
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1R,4aS,10aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₆O₄
0 references
canonical SMILES
O=C(O)C1(C)CCCC2(C3=CC=C(C=C3C(=O)CC12)C(O)(C)C)C
0 references
isomeric SMILES
CC(C)(O)c1ccc2c(c1)C(=O)C[C@H]1[C@@](C)(C(=O)O)CCC[C@]21C
0 references
found in taxon
Illicium majus
1 reference
stated in
Diterpenoids and sesquiterpenoids from the roots of Illicium majus
Identifiers
InChI
InChI=1S/C20H26O4/c1-18(2,24)12-6-7-14-13(10-12)15(21)11-16-19(14,3)8-5-9-20(16,4)17(22)23/h6-7,10,16,24H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,19-,20+/m1/s1
0 references
InChIKey
MXPXAZNVQUWDFH-AHRSYUTCSA-N
0 references
PubChem CID
73351956
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
MXPXAZNVQUWDFH-AHRSYUTCSA-N
UniChem compound ID
69473332
1 reference
stated in
UniChem
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