(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

chemical compound

Wikidata entity: Q105230028

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 ... Q133128 (Pinus sylvestris) Pinus sylvestris
P31 instance of ... Q113145171 (type of chemical entity) type of chemical entity
P2017 isomeric SMILES String C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1CC/C(C)=C/C(=O)O ???
P3364 stereoisomer of ... Q77515543 (ent-agathic acid) ent-agathic acid
P3364 stereoisomer of ... Q104394431 (agathic acid) 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 ... 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
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-MVSANXGASA-N
P662PubChem CID163186749

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