Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Maleopimaric acid / MPA 510-39-4 92120
Structure Other Information
Canonical SMILES CC(C)C1=C[C@@]23CC[C@@H]4[C@@]([C@H]2C[C@@H]1[C@@H]5[C@H]3C(=O)OC5=O)(CCC[C@@]4(C)C(=O)O)C
Iso SMILES CC(C)C1=C[C@@]23CC[C@@H]4[C@@]([C@H]2C[C@@H]1[C@@H]5[C@H]3C(=O)OC5=O)(CCC[C@@]4(C)C(=O)O)C
InChI InChI=1S/C24H32O5/c1-12(2)14-11-24-9-6-15-22(3,7-5-8-23(15,4)21(27)28)16(24)10-13(14)17-18(24)20(26)29-19(17)25/h11-13,15-18H,5-10H2,1-4H3,(H,27,28)/t13-,15+,16+,17+,18-,22-,23+,24-/m0/s1
InChI Key FEPCMSPFPMPWJK-OLPJDRRASA-N
Formula C24H32O5
Mol Weight 400.5
XlogP3 4.5
Charge 0

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Synonyms Information
CAS Name (1S,4R,5R,9R,10R,12R,13R,17R)-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadec-18-ene-5-carboxylic acid
IUPAC Name (1S,4R,5R,9R,10R,12R,13R,17R)-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadec-18-ene-5-carboxylic acid
Openeye Name (1S,4R,5R,9R,10R,12R,13R,17R)-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadec-18-ene-5-carboxylic acid
Systematic Name (1S,4R,5R,9R,10R,12R,13R,17R)-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadec-18-ene-5-carboxylic acid
Tratitional Name (1S,4R,5R,9R,10R,12R,13R,17R)-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadec-18-ene-5-carboxylic acid