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(Q105165522)
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English
(1R,3R,6E,9E)-3,7,11,11,14-pentamethyl-16-oxatricyclo[11.2.1.01,5]hexadeca-4,6,9,13-tetraene-8,15-dione
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3,7,11,11,14-Pentamethyl-16-oxatricyclo[11.2.1.01,5]hexadeca-4,6,9,13-tetraene-8,15-dione
1 reference
based on heuristic
inferred from SMILES
mass
312.172544628
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1R,3R)-3,7,11,11,14-pentamethyl-16-oxatricyclo[11.2.1.01,5]hexadeca-4,6,9,13-tetraene-8,15-dione
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
jatrophone
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Jatrophone
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₄O₃
0 references
canonical SMILES
O=C1C=CC(C)(C)CC=2OC3(C(=O)C2C)C(C=C1C)=CC(C)C3
0 references
isomeric SMILES
CC1=C2CC(C)(C)/C=C/C(=O)/C(C)=C/C3=C[C@H](C)C[C@]3(O2)C1=O
0 references
found in taxon
Jatropha gossypiifolia
1 reference
stated in
Plant anticancer agents. 28. New antileukemic jatrophone derivatives from Jatropha gossypiifolia: structural and stereochemical assignment through nuclear magnetic resonance spectroscopy
Identifiers
InChI
InChI=1S/C20H24O3/c1-12-8-15-9-13(2)16(21)6-7-19(4,5)11-17-14(3)18(22)20(15,10-12)23-17/h6-9,12H,10-11H2,1-5H3/b7-6+,13-9+/t12-,20+/m0/s1
0 references
InChIKey
MJNNONLDVCCGCA-IOKRRGBBSA-N
0 references
PubChem CID
14733218
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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