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(Q105145456)
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English
3-O-Isobutyrylcuauhtemone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(1-Hydroxy-1,4a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,5,8,8a-hexahydronaphthalen-2-yl) 2-methylpropanoate
1 reference
based on heuristic
inferred from SMILES
mass
322.21440944
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₃₀O₄
0 references
canonical SMILES
O=C1C(=C(C)C)CC2C(O)(C)C(OC(=O)C(C)C)CCC2(C)C1
0 references
isomeric SMILES
CC(C)=C1C[C@H]2[C@](C)(O)[C@H](OC(=O)C(C)C)CC[C@]2(C)CC1=O
0 references
found in taxon
Tessaria integrifolia
1 reference
stated in
Cuauthemone derivatives from Tessaria integrifolia and Pluchea symphytifolia
Identifiers
InChI
InChI=1S/C19H30O4/c1-11(2)13-9-15-18(5,10-14(13)20)8-7-16(19(15,6)22)23-17(21)12(3)4/h12,15-16,22H,7-10H2,1-6H3/t15-,16-,18-,19+/m1/s1
0 references
InChIKey
KSKDYHFBFHZPQV-RWQQGDIJSA-N
0 references
PubChem CID
101029340
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KSKDYHFBFHZPQV-RWQQGDIJSA-N
UniChem compound ID
97005209
1 reference
stated in
UniChem
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