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(Q104920371)
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English
Teubutilin A
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
6'-(furan-3-yl)-16'-methyl-3',5'-dioxaspiro[oxirane-2,13'-tetracyclo[6.5.3.0¹,⁹.0⁴,⁸]hexadecan]-14'-yl acetate
1 reference
based on heuristic
inferred from SMILES
mass
388.188588616
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(1R,4S,6S,8R,9S,13R,14R,16R)-6-(furan-3-yl)-16-methylspiro[3,5-dioxatetracyclo[6.5.3.01,9.04,8]hexadecane-13,2'-oxirane]-14-yl] acetate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
[(1R,4R,6S,8R,9S,13R,14S,16R)-6-(furan-3-yl)-16-methylspiro[3,5-dioxatetracyclo[6.5.3.01,9.04,8]hexadecane-13,2'-oxirane]-14-yl] acetate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₂₈O₆
0 references
canonical SMILES
O=C(OC1CC(C)C23CC(OC3OCC14C2CCCC54OC5)C6=COC=C6)C
0 references
isomeric SMILES
CC(=O)O[C@H]1C[C@@H](C)[C@]23C[C@@H](c4ccoc4)O[C@@H]2OC[C@]12[C@@H]3CCC[C@]21CO1
0 references
found in taxon
Teucrium abutiloides
1 reference
stated in
Neo-clerodane diterpenoids from Teucrium abutiloides
Teucrium polium
1 reference
stated in
Structure elucidation and hepatotoxicity evaluation against HepG2 human cells of neo-clerodane diterpenes from Teucrium polium L.
Identifiers
InChI
InChI=1S/C22H28O6/c1-13-8-18(27-14(2)23)22-12-25-19-21(13,9-16(28-19)15-5-7-24-10-15)17(22)4-3-6-20(22)11-26-20/h5,7,10,13,16-19H,3-4,6,8-9,11-12H2,1-2H3/t13-,16+,17-,18+,19+,20+,21+,22+/m1/s1
0 references
InChIKey
AWYKLDLAAPOPDI-HQURQYGRSA-N
0 references
PubChem CID
101526941
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
AWYKLDLAAPOPDI-HQURQYGRSA-N
UniChem compound ID
97135607
1 reference
stated in
UniChem
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