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(Q82919485)
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English
Kaur-16-en-18-oic acid
group of stereoisomers with the chemical formula C₂₀H₃₀O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
kaurane diterpenoid
1 reference
inferred from
kaurane diterpenoid
mass
302.2245802
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₃₀O₂
0 references
canonical SMILES
O=C(O)C1(C)CCCC2(C)C1CCC34CC(=C)C(CCC32)C4
0 references
isomeric SMILES
C=C1C[C@@]23CC[C@@H]4[C@@](C)(C(=O)O)CCC[C@@]4(C)[C@@H]2CCC1C3
0 references
found in taxon
Aristolochia constricta
1 reference
stated in
Chemical constituents of Aristolochia constricta: antispasmodic effects of its constituents in guinea-pig ileum and isolation of a diterpeno-lignan hybrid
Identifiers
InChI
InChI=1S/C20H30O2/c1-13-11-20-10-7-15-18(2,16(20)6-5-14(13)12-20)8-4-9-19(15,3)17(21)22/h14-16H,1,4-12H2,2-3H3,(H,21,22)/t14?,15-,16-,18+,19-,20+/m0/s1
0 references
InChIKey
NIKHGUQULKYIGE-LFVVLLIQSA-N
0 references
CAS Registry Number
20316-84-1
0 references
PubChem CID
159887
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
88759
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50942466
0 references
DSSTOX compound identifier
DTXCID301370867
0 references
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