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(Q105286769)
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English
(4aS,4bR,7R,10aS)-7-ethenyl-4b-hydroxy-1,1,7-trimethyl-9-oxo-3,4,5,6,10,10a-hexahydro-2H-phenanthrene-4a-carboxylic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
7-ethenyl-4b-hydroxy-1,1,7-trimethyl-9-oxo-3,4,5,6,10,10a-hexahydro-2H-phenanthrene-4a-carboxylic acid
1 reference
based on heuristic
inferred from SMILES
mass
332.198759376
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Sphaeropsidin C
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₈O₄
0 references
canonical SMILES
O=C(O)C12CCCC(C)(C)C2CC(=O)C3=CC(C=C)(C)CCC31O
0 references
isomeric SMILES
C=C[C@]1(C)C=C2C(=O)C[C@H]3C(C)(C)CCC[C@@]3(C(=O)O)[C@@]2(O)CC1
0 references
found in taxon
Sphaeropsis sapinea
1 reference
stated in
Studies on structure-activity relationship of sphaeropsidins A-F, phytotoxins produced by Sphaeropsis sapinea f. sp. cupressi
Identifiers
InChI
InChI=1S/C20H28O4/c1-5-18(4)9-10-20(24)13(12-18)14(21)11-15-17(2,3)7-6-8-19(15,20)16(22)23/h5,12,15,24H,1,6-11H2,2-4H3,(H,22,23)/t15-,18-,19+,20+/m0/s1
0 references
InChIKey
VIDNIVWPSMVGJV-KCUHQSDYSA-N
0 references
PubChem CID
92466531
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VIDNIVWPSMVGJV-KCUHQSDYSA-N
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