Calcium abietate
calcium bis((1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate)
Also Known As: Calcium abietate, Calcium rosinate, CALCIUM RESINATE, Calcium rosin, Limed rosin, Rosin calcium salt, Metallic resinate, Rosin, limed, Limed wood rosin, Rosin, calcium salt, Rosin acid, calcium salt, Wood rosin, calcium salt, Calcium resinate, fused, calcium(2+) diabietate, Rosin acids, calcium salts
| Molecular Formula | C40H58CaO4 |
|---|---|
| Molecular Weight | 642.3961 g/mol |
| LogP | 7.36 |
| Topological Polar Surface Area | 80.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 642.3961 |
| Heavy Atoms | 45 |
| Complexity | 1188 |
Chemical Identifiers
| CAS Number | 9007-13-0 |
|---|---|
| SMILES | CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)[O-])C.CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)[O-])C.[Ca+2] |
Product Overview
Calcium abietate (CAS 9007-13-0), with molecular formula C40H58CaO4 and molecular weight 642.3961 g/mol. IUPAC: calcium bis((1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate).
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