16-Oxocleroda-3,13E-Dien-15-Oic Acid

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Catalog Number ACM117620721
Product Name 16-Oxocleroda-3,13E-Dien-15-Oic Acid
CAS Number 117620-72-1
IUPAC Name (E)-5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-formylpent-2-enoic acid
Synonyms 16-Oxocleroda-3,13-dien-15-oic acid
Molecular Weight 318.45
Molecular Formula C20H30O3
Canonical SMILES C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CC/C(=C\C(=O)O)/C=O)CCC=C2C)C
Inchi InChI=1S/C20H30O3/c1-14-6-5-7-17-19(14,3)10-8-15(2)20(17,4)11-9-16(13-21)12-18(22)23/h6,12-13,15,17H,5,7-11H2,1-4H3,(H,22,23)/b16-12+/t15-,17+,19+,20+/m1/s1
InChIKey LUZARHTWSOXFLP-HEZUFYQYSA-N
Boiling Point 446.0±28.0 °C
Purity 98%
Density 1.021±0.06 g/ml
Appearance Solid

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