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(Q105337644)
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English
(1S,13S,16R,18S)-9-hydroxy-13,17,17-trimethyl-4,12-dioxapentacyclo[11.4.1.02,11.03,8.016,18]octadeca-2(11),3(8),6,9-tetraen-5-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
9-Hydroxy-13,17,17-trimethyl-4,12-dioxapentacyclo[11.4.1.02,11.03,8.016,18]octadeca-2(11),3(8),6,9-tetraen-5-one
1 reference
based on heuristic
inferred from SMILES
mass
312.13615912
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₀O₄
0 references
canonical SMILES
O=C1OC2=C(C=C1)C(O)=CC=3OC4(C)CCC5C4C(C32)C5(C)C
0 references
isomeric SMILES
CC1(C)[C@H]2c3c(cc(O)c4ccc(=O)oc34)O[C@@]3(C)CC[C@@H]1[C@@H]23
0 references
found in taxon
Philotheca brucei
2 references
stated in
Pyranocoumarins as chemotaxonomic markers in Eriostemon coccineus and Philotheca citrina
stated in
Tetra− and pentacyclic 6-c-monoterpenyl-5,7-dioxycoumarins from Eriostemon brucei and e. Brucei subspecies cinereus
Identifiers
InChI
InChI=1S/C19H20O4/c1-18(2)10-6-7-19(3)15(10)16(18)14-12(23-19)8-11(20)9-4-5-13(21)22-17(9)14/h4-5,8,10,15-16,20H,6-7H2,1-3H3/t10-,15+,16+,19+/m1/s1
0 references
InChIKey
XOAGDAZIMGQIMV-QATLNALXSA-N
0 references
PubChem CID
134843703
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
153619073
1 reference
stated in
UniChem
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