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(Q105029632)
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Trifolione A
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
7-Ethenyl-1-(hydroxymethyl)-1,4a,7-trimethyl-2,4,4b,5,6,9,10,10a-octahydrophenanthren-3-one
1 reference
based on heuristic
inferred from SMILES
mass
302.2245802
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₃₀O₂
0 references
canonical SMILES
O=C1CC(C)(CO)C2CCC3=CC(C=C)(C)CCC3C2(C)C1
0 references
isomeric SMILES
C=C[C@@]1(C)C=C2CC[C@@H]3[C@@](C)(CO)CC(=O)C[C@@]3(C)[C@@H]2CC1
0 references
found in taxon
Sagittaria trifolia
3 references
stated in
Absolute stereostructures of trifoliones A, B, C, and D, new biologically active diterpenes from the tuber of Sagittaria trifolia L
stated in
Medicinal foodstuffs. II. On the bioactive constituents of the tuber of Sagittaria trifolia L. (Kuwai, Alismataceae): absolute stereostructures of trifoliones A, B, C, and D, sagittariosides a and b, and arabinothalictoside
stated in
Medicinal foodstuffs. II. On the bioactive constituents of the tuber of Sagittaria trifolia L. (Kuwai, Alismataceae): absolute stereostructures of trifoliones A, B, C, and D, sagittariosides a and b, and arabinothalictoside
Identifiers
InChI
InChI=1S/C20H30O2/c1-5-18(2)9-8-16-14(10-18)6-7-17-19(3,13-21)11-15(22)12-20(16,17)4/h5,10,16-17,21H,1,6-9,11-13H2,2-4H3/t16-,17-,18-,19-,20+/m1/s1
0 references
InChIKey
HKFZBGDCJPXQHN-WAPOTWQKSA-N
0 references
PubChem CID
10494596
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HKFZBGDCJPXQHN-WAPOTWQKSA-N
UniChem compound ID
33219282
1 reference
stated in
UniChem
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