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)

CAS: 13463-98-4

Molecular Formula	`C40H58CaO4`
Molecular Weight	643.0 g/mol
Topological Polar Surface Area	80.3 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	2
Exact Mass	642.3961
Heavy Atoms	45
Complexity	536.0

Chemical Identifiers

CAS Number	13463-98-4
SMILES	`CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)[O-])C.CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)[O-])C.[Ca+2]`
InChIKey	`DWPDSISGRAWLLV-JHZYRPMRSA-L`

📖 Product Overview

Calcium abietate (CAS: 13463-98-4) is a chemical compound with molecular formula C40H58CaO4 and molecular weight 643.0 g/mol. Its IUPAC systematic name is calcium bis((1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate). Topological Polar Surface Area 80.3 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 2 Exact Mass 642.3961 Heavy Atoms 45 Complexity 536.0 InChI Key: DWPDSISGRAWLLV-JHZYRPMRSA-L. SMILES: CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)[O-])C.CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)[O-])C.[Ca+2].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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