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(Q72470777)
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English
ent-3-Oxokaurane-16,17-diol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
16-Epiabbeokutone
1 reference
based on heuristic
inferred from SMILES
(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
mass
320.235144884
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
CID 11616742
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Abbeokutone
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
(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
(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
(1S,4S,9S,10S,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
(1R,4R,9R,10S,13S,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 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
1 reference
based on heuristic
inferred from InChI
Hoffmanniaketone
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
C[C@@]12CCC(=O)C([C@H]1CC[C@]34[C@H]2CC[C@H](C3)[C@@](C4)(CO)O)(C)C
0 references
found in taxon
Callicarpa macrophylla
1 reference
stated in
16oc,17-isopropylideno-3-oxo-phyllocladane, a diterpenoid from Callicarpa macrophylla
Euphorbia ebracteolata
1 reference
stated in
Cytotoxic diterpenoids from the roots of Euphorbia ebracteolata.
Euphorbia lagascae
1 reference
stated in
New macrocyclic lathyrane diterpenes, from Euphorbia lagascae, as inhibitors of multidrug resistance of tumour cells.
Euphorbia sieboldiana
1 reference
stated in
Tetracyclic diterpenols from Euphorbia sieboldiana
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-/m1/s1
0 references
InChIKey
MPDUJZZNNBJFAB-XYYNDNLRSA-N
0 references
CAS Registry Number
135683-73-7
0 references
PubChem CID
392471
1 reference
matched by identifier from
InChIKey
InChIKey
MPDUJZZNNBJFAB-XYYNDNLRSA-N
UniChem compound ID
52047157
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20929108
1 reference
matched by identifier from
InChIKey
InChIKey
MPDUJZZNNBJFAB-XYYNDNLRSA-N
DSSTOX compound identifier
DTXCID101357865
0 references
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