agathic acid

chemical compound

Wikidata entity: Q104394431

C₂₀H₃₀O₄ (P274)




Quantities

P2067mass334.21440944

P233 canonical SMILES String O=C(O)C=C(C)CCC1C(=C)CCC2C(C(=O)O)(C)CCCC12C ???
P703 found in taxon ... Q243964 (Pinus pumila) Pinus pumila
P703 found in taxon ... Q899179 (Araucaria angustifolia) Araucaria angustifolia
P703 found in taxon ... Q134428 (Copaifera) Copaifera
P703 found in taxon ... Q157697 (Juniperus chinensis) Juniperus chinensis
P703 found in taxon ... Q2732370 (Agathis macrophylla) Agathis macrophylla
P703 found in taxon ... Q10451660 (Chromocleista) Chromocleista
P703 found in taxon ... Q14950468 (Agathis vitiensis) Agathis vitiensis
P31 instance of ... Q113145171 (type of chemical entity) type of chemical entity
P2017 isomeric SMILES String C=C1CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O ???
P3364 stereoisomer of ... Q77515543 (ent-agathic acid) ent-agathic acid
P3364 stereoisomer of ... Q105230026 ((1S,4aR,5R,8aS)-5-[(E)-4-carboxy-3-methylbut-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid) (1S,4aR,5R,8aS)-5-[(E)-4-carboxy-3-methylbut-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
P3364 stereoisomer of ... Q105230028 ((1R,4aS,5S,8aR)-5-[(E)-4-carboxy-3-methylbut-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid) (1R,4aS,5S,8aR)-5-[(E)-4-carboxy-3-methylbut-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
P3364 stereoisomer of ... Q105230029 ((1S,4aS,5S,8aR)-5-[(E)-4-carboxy-3-methylbut-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid) (1S,4aS,5S,8aR)-5-[(E)-4-carboxy-3-methylbut-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
P3364 stereoisomer of ... Q105230032 ((1R,4aS,5S,8aR)-5-[(Z)-4-carboxy-3-methylbut-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid) (1R,4aS,5S,8aR)-5-[(Z)-4-carboxy-3-methylbut-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
P279 subclass of ... Q104196338 (5-(4-carboxy-3-methylbut-3-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid) 5-(4-carboxy-3-methylbut-3-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

External Ids
P231CAS Registry Number640-28-8
P234InChIInChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+/t15-,16+,19+,20-/m0/s1
P235InChIKeyQYCOHMYDSOZCQD-GWEOMKHGSA-N
P662PubChem CID6436877
P2877SureChEMBL ID29358171
P11089UniChem compound ID460139

Why not click here or view trends?

log id: 5041849