Nombre del analito

6-Ethoxysulfodehydroabietic Acid, Ethyl Ester

Número CAS

1071579-04-8

Fórmula molecular

C24H36O5S

Peso molecular

436.61

Masa exacta

436.23

SMILES

C[C@]1(CCC[C@]2([C@]1(CCC3=C2C=C(C(C(C)C)=C3)S(OCC)(=O)=O)[H])C)C(OCC)=O

InChI

InChI=1S/C24H36O5S/c1-7-28-22(25)24(6)13-9-12-23(5)19-15-20(30(26,27)29-8-2)18(16(3)4)14-17(19)10-11-21(23)24/h14-16,21H,7-13H2,1-6H3/t21-,23-,24-/m1/s1

IUPAC

Ethyl (1R,4aS,10aR)-6-(Ethoxysulfonyl)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate

País de origen

CANADA

Formato del producto

Neat