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(Q105340938)
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English
Teupernin D
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
10-(Chloromethyl)-5'-(furan-3-yl)-10-hydroxyspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione
1 reference
based on heuristic
inferred from SMILES
mass
378.087016008
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1R,5'S,8S,9S,10S)-10-(chloromethyl)-5'-(furan-3-yl)-10-hydroxyspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₉H₁₉ClO₆
0 references
canonical SMILES
O=C1OC2C3=C1CCCC3C4(C(=O)OC(C5=COC=C5)C4)C(O)(CCl)C2
0 references
isomeric SMILES
O=C1O[C@@H]2C[C@@](O)(CCl)[C@]3(C[C@@H](c4ccoc4)OC3=O)[C@@H]3CCCC1=C23
0 references
found in taxon
Teucrium pernyi
1 reference
stated in
A Chlorine-Containing neo-Clerodane Diterpene from Teucrium pernyi.
Identifiers
InChI
InChI=1S/C19H19ClO6/c20-9-18(23)6-14-15-11(16(21)25-14)2-1-3-12(15)19(18)7-13(26-17(19)22)10-4-5-24-8-10/h4-5,8,12-14,23H,1-3,6-7,9H2/t12-,13+,14-,18-,19-/m1/s1
0 references
InChIKey
XSCIYDYMKUSXCT-KQQQJOJRSA-N
0 references
PubChem CID
101633173
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XSCIYDYMKUSXCT-KQQQJOJRSA-N
UniChem compound ID
97195836
1 reference
stated in
UniChem
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