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Allolaurinterol acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4-bromo-2-(1,2-dimethyl-3-methylidenecyclopentyl)-5-methylphenyl acetate
1 reference
based on heuristic
inferred from SMILES
mass
336.072492012
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₁BrO₂
0 references
canonical SMILES
O=C(OC1=CC(=C(Br)C=C1C2(C)CCC(=C)C2C)C)C
0 references
isomeric SMILES
C[C@H]1C(=C)CC[C@@]1(C)C2=C(C=C(C(=C2)Br)C)OC(=O)C
0 references
found in taxon
Aplysia dactylomela
2 references
stated in
Novel tryptophan-derived dipeptides and bioactive metabolites from the sea hare Aplysia dactylomela
stated in
Marine natural products: parguerol, deoxyparguerol, and isoparguerol. New brominated diterpenes with modified pimarane skeletons from the sea hare Aplysia dactylomela
Identifiers
InChI
InChI=1S/C17H21BrO2/c1-10-6-7-17(5,12(10)3)14-9-15(18)11(2)8-16(14)20-13(4)19/h8-9,12H,1,6-7H2,2-5H3/t12-,17+/m0/s1
0 references
InChIKey
LVYHDYGLTMWWKI-YVEFUNNKSA-N
0 references
CAS Registry Number
62573-44-8
0 references
PubChem CID
14239678
1 reference
matched by identifier from
InChIKey
InChIKey
LVYHDYGLTMWWKI-YVEFUNNKSA-N
UniChem compound ID
63992507
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50557817
1 reference
matched by identifier from
InChIKey
InChIKey
LVYHDYGLTMWWKI-YVEFUNNKSA-N
DSSTOX compound identifier
DTXCID80508599
0 references
NSC number
720798
0 references
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