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English
Methyl 15-hydroxykauran-18-oate
group of stereoisomers with the chemical formula C₂₁H₃₄O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
334.25079494799996
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₄O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COC(=O)C1(C)CCCC2(C)C1CCC13CC(CCC21)C(C)C3O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CCC4CC3(CC[C@@H]21)C(O)C4C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H34O3/c1-13-14-6-7-16-19(2)9-5-10-20(3,18(23)24-4)15(19)8-11-21(16,12-14)17(13)22/h13-17,22H,5-12H2,1-4H3/t13?,14?,15-,16-,17?,19+,20+,21?/m0/s1
0 references
InChIKey
DECWLUDQIFLZNV-ZCVCDGBISA-N
0 references
CAS Registry Number
106818-49-9
0 references
PubChem CID
129741
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
45609835
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40910119
0 references
DSSTOX compound identifier
DTXCID101339176
0 references
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