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(Q105254994)
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English
2-[(2R,4aS,6R,8aR)-6-hydroxy-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-(6-hydroxy-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl)prop-2-enoic acid
1 reference
based on heuristic
inferred from SMILES
mass
250.156894564
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
2-[(2S,4aS,6R,8aR)-6-hydroxy-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(2R)-1,2,3,4,4a,5,6,8abeta-Octahydro-6alpha-hydroxy-4aalpha,8-dimethyl-alpha-methylenenaphthalene-2alpha-acetic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₂O₃
0 references
canonical SMILES
O=C(O)C(=C)C1CCC2(C)CC(O)C=C(C)C2C1
0 references
isomeric SMILES
C=C(C(=O)O)[C@@H]1CC[C@@]2(C)C[C@@H](O)C=C(C)[C@@H]2C1
0 references
found in taxon
Dittrichia graveolens
1 reference
stated in
New eudesmane derivatives and other sesquiterpenes from the epigeal parts of Dittrichia graveolens
Dittrichia viscosa
2 references
stated in
Further sesquiterpene lactones from the genus Dittrichia
stated in
Sesquiterpenoids from Dittrichia viscosa (L.) GREUTER. Their structure and deterrent activity
Stevia achalensis
1 reference
stated in
Neue Sesquiterpenlactone und andere Inhaltsstoffe ausStevia mercedensis undStevia achalensis
Identifiers
InChI
InChI=1S/C15H22O3/c1-9-6-12(16)8-15(3)5-4-11(7-13(9)15)10(2)14(17)18/h6,11-13,16H,2,4-5,7-8H2,1,3H3,(H,17,18)/t11-,12+,13+,15+/m1/s1
0 references
InChIKey
SKQMBUGVSOITND-OSFYFWSMSA-N
0 references
PubChem CID
162901460
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SKQMBUGVSOITND-OSFYFWSMSA-N
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