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(Q105008216)
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English
Lagerstronolide
group of stereoisomers with the chemical formula C₂₂H₃₂O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
labdanes
1 reference
inferred from
labdanes
mass
360.23005950399994
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₂H₃₂O₄
0 references
canonical SMILES
O=C1OC(OC(=O)C)C(=C1)CCC2C(=C)CCC3C(C)(C)CCCC23C
0 references
isomeric SMILES
C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCC1=CC(=O)OC1OC(C)=O
0 references
Identifiers
InChI
InChI=1S/C22H32O4/c1-14-7-10-18-21(3,4)11-6-12-22(18,5)17(14)9-8-16-13-19(24)26-20(16)25-15(2)23/h13,17-18,20H,1,6-12H2,2-5H3/t17-,18-,20?,22+/m0/s1
0 references
InChIKey
GGNLRMHJOHXVED-GBZNYACQSA-N
0 references
PubChem CID
101445553
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GGNLRMHJOHXVED-GBZNYACQSA-N
UniChem compound ID
97779428
1 reference
stated in
UniChem
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