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(Q104997049)
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(5alpha,8R,9alpha,10beta,12S,13R,16S)-Trachyloban-19-oic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Ent-trachyloban-19-oic acid
1 reference
based on heuristic
inferred from SMILES
19-Trachylobanoic acid
1 reference
based on heuristic
inferred from SMILES
mass
302.2245802
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Trachyloban-19-oic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1S,4S,5R,9S,10R,12R,13R,14R)-5,9,13-trimethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecane-5-carboxylic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(5alpha,8beta,9alpha,10beta,13R,16beta)-Trachyloban-18-oic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Trachyloban-18-oic acid
1 reference
based on heuristic
inferred from InChI
Trachyloban-19-oicacid
1 reference
based on heuristic
inferred from InChI
ent-Trachyloban-18-oic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₀O₂
0 references
canonical SMILES
O=C(O)C1(C)CCCC2(C)C1CCC34CC5C(CC32)C5(C)C4
0 references
isomeric SMILES
C[C@]1(C(=O)O)CCC[C@]2(C)[C@H]3C[C@H]4[C@H]5C[C@]3(CC[C@@H]12)C[C@@]45C
0 references
found in taxon
Iostephane heterophylla
1 reference
stated in
Bisabolenes, polycyclic diterpenoids and other constituents from the roots of Iostephane heterophylla
Identifiers
InChI
InChI=1S/C20H30O2/c1-17-6-4-7-18(2,16(21)22)14(17)5-8-20-10-13-12(9-15(17)20)19(13,3)11-20/h12-15H,4-11H2,1-3H3,(H,21,22)/t12-,13+,14+,15+,17-,18-,19-,20+/m0/s1
0 references
InChIKey
FLGAFUAMEXILLB-KWCFOIOVSA-N
0 references
PubChem CID
101713119
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FLGAFUAMEXILLB-KWCFOIOVSA-N
UniChem compound ID
97486799
1 reference
stated in
UniChem
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