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(Q104982076)
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Solidagonic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
5-[3-(acetyloxy)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enoic acid
1 reference
based on heuristic
inferred from SMILES
mass
362.245709568
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(E)-5-[(1R,2S,3S,4aR,8aR)-3-acetyloxy-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enoic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(Z)-5-[(1R,2S,3R,4aR,8aR)-3-acetyloxy-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enoic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₂H₃₄O₄
0 references
canonical SMILES
O=C(O)C=C(C)CCC1(C)C(C)C(OC(=O)C)CC2(C(=CCCC21)C)C
0 references
isomeric SMILES
CC(=O)O[C@@H]1C[C@@]2(C)C(C)=CCC[C@@H]2[C@@](C)(CC/C(C)=C/C(=O)O)[C@@H]1C
0 references
found in taxon
Solidago altissima
3 references
stated in
Effects of Acetylenes and Terpenoids from Solidago altissima L. on Seed Germination
stated in
The Structure and the Stereochemistry of Solidagonic Acid
stated in
The Steric Structures of Diterpene Carboxylic Acids from Solidago altissima L.
Solidago canadensis
1 reference
stated in
Polyacetylenes and diterpenes from Solidago canadensis
Identifiers
InChI
InChI=1S/C22H34O4/c1-14(12-20(24)25)10-11-21(5)16(3)18(26-17(4)23)13-22(6)15(2)8-7-9-19(21)22/h8,12,16,18-19H,7,9-11,13H2,1-6H3,(H,24,25)/b14-12+/t16-,18-,19-,21+,22+/m1/s1
0 references
InChIKey
DJEUHRRTZPCWNH-XDRWNGTKSA-N
0 references
PubChem CID
11068459
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DJEUHRRTZPCWNH-XDRWNGTKSA-N
UniChem compound ID
32257179
1 reference
stated in
UniChem
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