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(Q105167968)
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Eubol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
[15-Hydroxy-5-(hydroxymethyl)-5,9-dimethyl-14-methylidene-2-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
1 reference
based on heuristic
inferred from SMILES
mass
362.245709568
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(1S,2S,4S,5S,9R,10S,13R,15R)-15-hydroxy-5-(hydroxymethyl)-5,9-dimethyl-14-methylidene-2-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
[(1R,2R,4R,5R,9S,10R,13S,15R)-15-hydroxy-5-(hydroxymethyl)-5,9-dimethyl-14-methylidene-2-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₃₄O₄
0 references
canonical SMILES
O=C(OC1CC2C(C)(CO)CCCC2(C)C3CCC4C(=C)C(O)C13C4)C
0 references
isomeric SMILES
C=C1[C@H](O)[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@](C)(CO)[C@H]1C[C@@H]3OC(C)=O
0 references
found in taxon
Sideritis arguta
2 references
stated in
Antioxidant and anticholinesterase activity evaluation of ent-kaurane diterpenoids from Sideritis arguta.
stated in
Antioxidant and anticholinesterase activity evaluation of ent-kaurane diterpenoids from Sideritis arguta.
Sideritis euboea
2 references
stated in
Eubotriol and eubol, new diterpenes fromSideritis euboea
stated in
Eubotriol and eubol, new diterpenes fromSideritis euboea
Sideritis caesarea
1 reference
stated in
Complete 13C NMR assignments for ent-kaurane diterpenoids from Sideritis species
Sideritis syriaca
1 reference
stated in
Eubotriol and eubol, new diterpenes fromSideritis euboea
Identifiers
InChI
InChI=1S/C22H34O4/c1-13-15-6-7-16-21(4)9-5-8-20(3,12-23)17(21)10-18(26-14(2)24)22(16,11-15)19(13)25/h15-19,23,25H,1,5-12H2,2-4H3/t15-,16+,17-,18+,19+,20-,21+,22-/m1/s1
0 references
InChIKey
MMPSMJLFQSNILL-HNABIGDDSA-N
0 references
PubChem CID
101316941
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MMPSMJLFQSNILL-HNABIGDDSA-N
UniChem compound ID
96894764
1 reference
stated in
UniChem
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