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(Q105188175)
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English
[(3R)-5-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentyl] acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
NCGC00380376-01_C22H40O3_1-Naphthalenepentanol, decahydro-2-hydroxy-gamma,2,5,5,8a-pentamethyl-, alpha-acetate
1 reference
based on heuristic
inferred from SMILES
mass
352.29774514
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(3S)-5-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentyl] acetate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₂H₄₀O₃
0 references
canonical SMILES
O=C(OCCC(C)CCC1C(O)(C)CCC2C(C)(C)CCCC12C)C
0 references
isomeric SMILES
CC(=O)OCC[C@H](C)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O
0 references
found in taxon
Aeonium lindleyi
1 reference
stated in
Leishmanicidal and Reversal Multidrug Resistance Constituents fromAeonium lindleyi
Identifiers
InChI
InChI=1S/C22H40O3/c1-16(11-15-25-17(2)23)8-9-19-21(5)13-7-12-20(3,4)18(21)10-14-22(19,6)24/h16,18-19,24H,7-15H2,1-6H3/t16-,18+,19-,21+,22-/m1/s1
0 references
InChIKey
NZKLGQRMNDHSPV-JLBAHBRCSA-N
0 references
PubChem CID
162919545
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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