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Hoffmanniaketone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(14R)-14-hydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-6-one
1 reference
based on heuristic
inferred from SMILES
16-Epiabbeokutone
1 reference
based on heuristic
inferred from SMILES
mass
320.235144884
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Abbeokutone
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1R,4S,9S,10R,13R,14S)-14-hydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-6-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
ent-3-Oxokaurane-16,17-diol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Calliterpenone
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1S,4S,9S,10S,13R,14R)-14-hydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-6-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1R,4R,9R,10S,13S,14S)-14-hydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-6-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1R,4R,9R,10S,13S,14R)-14-hydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-6-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1S,4S,9S,10S,13R,14S)-14-hydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-6-one
1 reference
based on heuristic
inferred from InChI
CID 11616742
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₂O₃
0 references
canonical SMILES
O=C1CCC2(C)C(CCC34CC(CCC32)C(O)(CO)C4)C1(C)C
0 references
isomeric SMILES
CC1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@]13C[C@H](CC[C@@H]21)[C@](O)(CO)C3
0 references
found in taxon
Hoffmannia strigillosa
2 references
stated in
Diterpenes from Hoffmannia strigillosa
stated in
Diterpenes from Hoffmannia strigillosa
Identifiers
InChI
InChI=1S/C20H32O3/c1-17(2)14-6-9-19-10-13(20(23,11-19)12-21)4-5-15(19)18(14,3)8-7-16(17)22/h13-15,21,23H,4-12H2,1-3H3/t13-,14+,15-,18+,19+,20+/m0/s1
0 references
InChIKey
MPDUJZZNNBJFAB-JTZLQOMOSA-N
0 references
PubChem CID
12305870
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MPDUJZZNNBJFAB-JTZLQOMOSA-N
UniChem compound ID
97093357
1 reference
stated in
UniChem
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