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(Q105252573)
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English
Adenostemmoic acid F
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
10,16-Dihydroxy-5,9,13-trimethyl-12-oxapentacyclo[11.2.1.111,14.01,10.04,9]heptadecane-5-carboxylic acid
1 reference
based on heuristic
inferred from SMILES
mass
350.20932406
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1S,4S,5R,9R,10R,11S,13R,14S,16S)-10,16-dihydroxy-5,9,13-trimethyl-12-oxapentacyclo[11.2.1.111,14.01,10.04,9]heptadecane-5-carboxylic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₀O₅
0 references
canonical SMILES
O=C(O)C1(C)CCCC2(C)C1CCC34CC5CC(OC5(C)C3O)C24O
0 references
isomeric SMILES
C[C@]12O[C@H]3C[C@@H]1C[C@@]1(CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)[C@]31O)[C@@H]2O
0 references
found in taxon
Adenostemma lavenia
1 reference
stated in
Kaurane-type diterpenes from Adenostemma lavenia O. Kuntze.
Adenostemma viscosum
1 reference
stated in
Kaurane-type diterpenes from Adenostemma lavenia O. Kuntze.
Identifiers
InChI
InChI=1S/C20H30O5/c1-16(15(22)23)6-4-7-17(2)12(16)5-8-19-10-11-9-13(20(17,19)24)25-18(11,3)14(19)21/h11-14,21,24H,4-10H2,1-3H3,(H,22,23)/t11-,12-,13+,14-,16-,17-,18+,19+,20-/m1/s1
0 references
InChIKey
SGRXKDSYPFTIOV-ZZITWBARSA-N
0 references
PubChem CID
101532856
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SGRXKDSYPFTIOV-ZZITWBARSA-N
UniChem compound ID
97601358
1 reference
stated in
UniChem
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