Calcium (5beta,10alpha)-12-sulfonatoabieta-8(14),9(11),12-trien-18-oate
[CAS# 86408-75-5]

Identification

• Name: Calcium (5beta,10alpha)-12-sulfonatoabieta-8(14),9(11),12-trien-18-oate
• Synonyms: 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4-dimethyl-7-(1-methylethyl)-6-sulfo-, calcium salt, (1R-(1-α,4a-β,10a-α))-, (1:1); Sulfodehydroabietic acid calcium salt
• Molecular Formula: C₂₀H₂₆CaO₅S
• Molecular Weight: 418.56
• CAS Registry Number: 86408-75-5
• SMILES: [Ca+2].[O-]C(=O)[C@@]3(C)[C@H]2CCc1c(cc(c(c1)C(C)C)S([O-])(=O)=O)[C@]2(C)CCC3
• InChI: 1S/C20H28O5S.Ca/c1-12(2)14-10-13-6-7-17-19(3,8-5-9-20(17,4)18(21)22)15(13)11-16(14)26(23,24)25;/h10-12,17H,5-9H2,1-4H3,(H,21,22)(H,23,24,25);/q;+2/p-2/t17-,19-,20+;/m0./s1
• InChIKey: ARDPVXCPTNGYGN-PQRDQDNSSA-L