NCS

中国新化学物质查询

[1R-(1Alpha,4AAlpha,4BAlpha,10AAlpha)]1,2,3,4,4A,4B,5,6,10,10A-十氢-1,4A-二甲基-7-(1-甲基乙基)-1-菲羧酸钙盐(Calcium diabieta-7,13-dien-18-oate)

dehydroabietic acid, 13|A-Isopropylpodocarpane, Abietinsaeure,Calcium-Salz, Abietan ((-)-Abietan), abietic acid calcium salt, abietane

CAS号: 13463-98-4

IUPAC名称: calcium bis(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate)

分子式: C40H58CaO4

分子量: 642.96400

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

InChIKey: DWPDSISGRAWLLV-UHFFFAOYSA-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]

EINECS: -

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