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Reference substances

Reference substances

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General information

Inventory

No inventory information available

Reference substance information

IUPAC name:
potassium (1R,4aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylate

Molecular and structural information

Molecular formula:
C20H31KO2
Molecular weight:
ca. 342.6
SMILES notation:
[K+].CC(C)C1CCC2C(CCC3[C@]2(C)CCC[C@@]3(C)C([O-])=O)=C1
InChl:
InChI=1/C20H32O2.K/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22;/h12-14,16-17H,5-11H2,1-4H3,(H,21,22);/q;+1/p-1/t14?,16?,17?,19-,20-;/s2
Structural formula:
Chemical structure