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(Q83005764)
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English
3,7-Dihydroxykauran-19-yl acetate
group of stereoisomers with the chemical formula C₂₂H₃₆O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
364.26135963199994
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₃₆O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(=O)OCC1(C)C(O)CCC2(C)C1CC(O)C13CC(C)C(CCC21)C3
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(=O)OC[C@]1(C)[C@H]2C[C@H](O)C34C[C@H](CC[C@H]3[C@]2(C)CC[C@H]1O)[C@@H](C)C4
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C22H36O4/c1-13-10-22-11-15(13)5-6-16(22)20(3)8-7-18(24)21(4,12-26-14(2)23)17(20)9-19(22)25/h13,15-19,24-25H,5-12H2,1-4H3/t13-,15-,16-,17-,18+,19-,20-,21+,22?/m0/s1
0 references
InChIKey
MBEQPJKZCPXXAK-JEJQAZERSA-N
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CAS Registry Number
89965-12-8
0 references
PubChem CID
180590
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
57989299
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID701009074
0 references
DSSTOX compound identifier
DTXCID001435901
0 references
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