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(Q82929300)
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English
2-[(2R,4aR,8aR)-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-(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
alpha-Costic acid
1 reference
based on heuristic
inferred from SMILES
mass
234.161979944
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₂O₂
0 references
canonical SMILES
O=C(O)C(=C)C1CCC2(C)CCC=C(C)C2C1
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isomeric SMILES
CC1=CCC[C@]2([C@H]1C[C@@H](CC2)C(=C)C(=O)O)C
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found in taxon
Stevia achalensis
2 references
stated in
Neue Sesquiterpenlactone und andere Inhaltsstoffe ausStevia mercedensis undStevia achalensis
stated in
Neue Sesquiterpenlactone und andere Inhaltsstoffe ausStevia mercedensis undStevia achalensis
Heterocoma ekmaniana
1 reference
stated in
Epi-Ililic acid from Alcantara Ekmaniana
Apalochlamys spectabilis
1 reference
stated in
Eudesmane derivatives other constituents fromApalochlamys spectabilis Cassinia species
Cassinia aculeata
1 reference
stated in
Eudesmane derivatives other constituents fromApalochlamys spectabilis Cassinia species
Dimerostemma lippioides
1 reference
stated in
Eudesmanolides from Dimerostemma lippioides
Dittrichia graveolens
3 references
stated in
New eudesmane derivatives and other sesquiterpenes from the epigeal parts of Dittrichia graveolens
stated in
Ichthyotoxic sesquiterpenes and xanthanolides from Dittrichia graveolens
stated in
A eudesmanolide and other constituents fromInula graveolens
Fitchia speciosa
1 reference
stated in
New sesquiterpene lactones and other constituents from Fitchia speciosa
Marshallia obovata
1 reference
stated in
Chromones and flavans from Marshallia obovata
Schistostephium crataegifolium
1 reference
stated in
Sesquiterpene lactones and other constituents from Schistostephium species
Identifiers
InChI
InChI=1S/C15H22O2/c1-10-5-4-7-15(3)8-6-12(9-13(10)15)11(2)14(16)17/h5,12-13H,2,4,6-9H2,1,3H3,(H,16,17)/t12-,13+,15-/m1/s1
0 references
InChIKey
UTXMCYDEIZPGME-VNHYZAJKSA-N
0 references
CAS Registry Number
28399-17-9
1 reference
InChIKey
UTXMCYDEIZPGME-VNHYZAJKSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=28399-17-9
PubChem CID
168796
1 reference
matched by identifier from
InChIKey
InChIKey
UTXMCYDEIZPGME-VNHYZAJKSA-N
UniChem compound ID
33705602
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60951064
1 reference
matched by identifier from
InChIKey
InChIKey
UTXMCYDEIZPGME-VNHYZAJKSA-N
DSSTOX compound identifier
DTXCID201379197
0 references
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