Catalog Number | I023975 |
CAS Number | 9007-13-0 |
Synonyms | Calcium resinate; Resin acids and rosin acids, calcium salts; Rosin calcium salt;
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Molecular Formula | C40H58CaO4 |
Purity | 98% |
Documentation |
CoA-9007-13-0-M23X05255_6794.pdf
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Solubility | Soluble in DMSO |
Appearance | Solid powder |
Storage | Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years). |
IUPAC Name | calcium (1R,4aR,4bR,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate |
InChI | InChI=1S/2C20H30O2.Ca/c2*1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22;/h2*7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22);/q;;+2/p-2/t2*16-,17+,19+,20+;/m00./s1 |
InChIKey | DWPDSISGRAWLLV-JHZYRPMRSA-L |
SMILES | CC(C1=CC2=CC[C@@H]3[C@](CCC[C@]3(C([O-])=O)C)([C@H]2CC1)C)C.CC(C4=CC5=CC[C@@H]6[C@](CCC[C@]6(C([O-])=O)C)([C@H]5CC4)C)C.[Ca+2] |
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