Product Information
Chemical Data
Analyte Name
12-Ethoxysulfodehydroabietic Acid
Molecular Formula
C22H32O5S
Molecular Weight
408.55
Accurate Mass
408.2
SMILES
C[C@]1(CCC[C@]2([C@]1(CCC3=C2C=C(C(C(C)C)=C3)S(OCC)(=O)=O)[H])C)C(O)=O
InChI
InChI=1S/C22H32O5S/c1-6-27-28(25,26)18-13-17-15(12-16(18)14(2)3)8-9-19-21(17,4)10-7-11-22(19,5)20(23)24/h12-14,19H,6-11H2,1-5H3,(H,23,24)/t19-,21-,22-/m1/s1
IUPAC
(1R,4aS,10aR)-6-(ethoxysulfonyl)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic Acid
Product Data
Country of Origin
CANADA
Product Format
Neat
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