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(Q72482233)
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Ilicic acid
chemical compound
Vachanic acid
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Statements
instance of
type of chemical entity
0 references
subclass of
2-[(4aR,8R,8aR)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid
1 reference
based on heuristic
inferred from SMILES
2-(8-Hydroxy-4a,8-dimethyldecahydro-2-naphthalenyl)acrylic acid
1 reference
based on heuristic
inferred from SMILES
2-[(4aR,8R)-8-hydroxy-4a,8-dimethyl-octahydronaphthalen-2-yl]prop-2-enoic acid
1 reference
based on heuristic
inferred from SMILES
mass
252.172544628
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
2-[(2R,4aR,8R,8aR)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
2-[(2R,4aR,8R,8aS)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid
1 reference
based on heuristic
inferred from InChI
7-epi-Ilicic acid
1 reference
based on heuristic
inferred from InChI
2-[(2S,4aR,8R,8aR)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₄O₃
0 references
canonical SMILES
O=C(O)C(=C)C1CCC2(C)CCCC(O)(C)C2C1
0 references
isomeric SMILES
C[C@]12CCC[C@]([C@@H]1C[C@@H](CC2)C(=C)C(=O)O)(C)O
0 references
found in taxon
Heterocoma ekmaniana
1 reference
stated in
Epi-Ililic acid from Alcantara Ekmaniana
Cheirolophus mauritanicus
1 reference
stated in
Sesquiterpene lactones, lignans and aromatic esters from Cheirolophus species
Identifiers
InChI
InChI=1S/C15H24O3/c1-10(13(16)17)11-5-8-14(2)6-4-7-15(3,18)12(14)9-11/h11-12,18H,1,4-9H2,2-3H3,(H,16,17)/t11-,12-,14-,15+/m1/s1
0 references
InChIKey
FXKCXGBBUBCRPU-GBOPCIDUSA-N
0 references
CAS Registry Number
4586-68-9
0 references
PubChem CID
6452036
1 reference
matched by identifier from
InChIKey
InChIKey
FXKCXGBBUBCRPU-GBOPCIDUSA-N
UniChem compound ID
857115
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30963452
1 reference
matched by identifier from
InChIKey
InChIKey
FXKCXGBBUBCRPU-GBOPCIDUSA-N
DSSTOX compound identifier
DTXCID901391203
0 references
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