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(Q105216462)
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English
(2,9,10-Triacetyloxy-13-chloro-8,17-dimethyl-4,12-dimethylidene-16-oxo-15,18-dioxatetracyclo[9.6.1.01,14.03,8]octadecan-7-yl) acetate
group of stereoisomers with the chemical formula C₂₈H₃₅ClO₁₁
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Statements
instance of
group of stereoisomers
0 references
subclass of
briarane diterpenoid
1 reference
inferred from
briarane diterpenoid
mass
582.18678962
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₈H₃₅ClO₁₁
0 references
canonical SMILES
O=C(OC1C2OC3(C(OC(=O)C3C)C(Cl)C2=C)C(OC(=O)C)C4C(=C)CCC(OC(=O)C)C4(C)C1OC(=O)C)C
0 references
found in taxon
Junceella fragilis
1 reference
stated in
Study on the chemical constituents of the South China Sea gorgonian Junceella juncea
Identifiers
InChI
InChI=1S/C28H35ClO11/c1-11-9-10-18(35-14(4)30)27(8)19(11)23(37-16(6)32)28-13(3)26(34)39-24(28)20(29)12(2)21(40-28)22(36-15(5)31)25(27)38-17(7)33/h13,18-25H,1-2,9-10H2,3-8H3
0 references
InChIKey
PXWWTSQKNXBHTK-UHFFFAOYSA-N
0 references
PubChem CID
14264083
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PXWWTSQKNXBHTK-UHFFFAOYSA-N
UniChem compound ID
52597212
1 reference
stated in
UniChem
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