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(Q105168085)
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English
(3S,5R)-5-hydroxy-2-methyl-5-[(1r,4R)-4-[(acetyloxy)methyl]cyclohexyl]hex-1-en-3-yl acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
[4-(4-Acetyloxy-2-hydroxy-5-methylhex-5-en-2-yl)cyclohexyl]methyl acetate
1 reference
based on heuristic
inferred from SMILES
mass
326.20932406
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₃₀O₅
0 references
canonical SMILES
O=C(OCC1CCC(CC1)C(O)(C)CC(OC(=O)C)C(=C)C)C
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isomeric SMILES
C=C(C)[C@H](C[C@@](C)(O)[C@H]1CC[C@H](COC(C)=O)CC1)OC(C)=O
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found in taxon
Baccharis latifolia
1 reference
stated in
ent-clerodanes and other constituents from bolivian Baccharis species
Identifiers
InChI
InChI=1S/C18H30O5/c1-12(2)17(23-14(4)20)10-18(5,21)16-8-6-15(7-9-16)11-22-13(3)19/h15-17,21H,1,6-11H2,2-5H3/t15-,16-,17-,18 /m0/s1
0 references
InChIKey
MMUHWJFYDCOUMO-XLAORIBOSA-N
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