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(Q104667625)
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English
Obtusallene IX
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
[6,9-Dibromo-3-(3-bromopropa-1,2-dienyl)-10-hydroxy-5-methyl-4,13-dioxabicyclo[8.2.1]tridec-11-en-7-yl] acetate
1 reference
based on heuristic
inferred from SMILES
mass
541.893910072
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₁Br₃O₅
0 references
canonical SMILES
O=C(OC1CC(Br)C2(O)OC(C=C2)CC(OC(C)C1Br)C=C=CBr)C
0 references
isomeric SMILES
CC(=O)O[C@@H]1C[C@H](Br)[C@]2(O)C=C[C@H](C[C@@H](C=C=CBr)O[C@@H](C)[C@H]1Br)O2
0 references
found in taxon
Laurencia obtusa
1 reference
stated in
A New-Skeleton Diterpenoid, New Prenylbisabolanes, and Their Putative Biogenetic Precursor, from the Red SeaweedLaurencia microcladia from Il Rogiolo: Assigning the Absolute Configuration when Two Chiral Halves are Connected By Single Bonds
Laurencia dendroidea
1 reference
stated in
A New-Skeleton Diterpenoid, New Prenylbisabolanes, and Their Putative Biogenetic Precursor, from the Red SeaweedLaurencia microcladia from Il Rogiolo: Assigning the Absolute Configuration when Two Chiral Halves are Connected By Single Bonds
Identifiers
InChI
InChI=1S/C17H21Br3O5/c1-10-16(20)14(24-11(2)21)9-15(19)17(22)6-5-13(25-17)8-12(23-10)4-3-7-18/h4-7,10,12-16,22H,8-9H2,1-2H3/t3?,10-,12+,13+,14+,15-,16+,17-/m0/s1
0 references
InChIKey
QMIYKLOJFDAYFZ-RJRVJIJGSA-N
0 references
PubChem CID
102147475
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QMIYKLOJFDAYFZ-RJRVJIJGSA-N
UniChem compound ID
100973343
1 reference
stated in
UniChem
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