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(Q105266855)
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English
6-[13-(2-Carboxyethyl)-4,8-dimethyl-12-(1-methylcyclopropyl)-5-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]-2-methylhept-2-enoic acid
group of stereoisomers with the chemical formula C₃₁H₄₈O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
484.355260016
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₁H₄₈O₄
0 references
canonical SMILES
O=C(O)C(=CCCC(C)C1CCC2(C)C3CCC(C4(C)CC4)C5(CCC(=O)O)CC35CCC12C)C
0 references
Identifiers
InChI
InChI=1S/C31H48O4/c1-20(7-6-8-21(2)26(34)35)22-11-13-29(5)24-10-9-23(27(3)15-16-27)30(14-12-25(32)33)19-31(24,30)18-17-28(22,29)4/h8,20,22-24H,6-7,9-19H2,1-5H3,(H,32,33)(H,34,35)
0 references
InChIKey
TXNBIFNTDYSZNF-UHFFFAOYSA-N
0 references
PubChem CID
162995817
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
TXNBIFNTDYSZNF-UHFFFAOYSA-N
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