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Substance Name: Sodium dehydroabietate
RN: 28161-39-9
UNII: MCO4K53W9N
InChIKey: ZCSNFGCDVJGPDD-YGJXXQMASA-M

Molecular Formula

  • C20-H28-O2.Na

Molecular Weight

  • 322.421
 
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Names and Synonyms

Results Name

  • Sodium dehydroabietate

Name of Substance

  • Sodium dehydroabietate

Synonyms

  • EINECS 248-873-9
  • Sodium dehydroabietate
  • UNII-MCO4K53W9N

Systematic Names

  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodium salt (1:1), (1R,4aS,10aR)-
  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodium salt, (1R,4aS,10aR)-
  • Sodium (1R-(1alpha,4abeta,10aalpha))-1,2,3,4,4a,9,10,10a-octahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylate

Mixture Name

  • Dehydroabietic acid sodium salt

Registry Numbers

CAS Registry Number

  • 28161-39-9

FDA UNII

  • MCO4K53W9N

Other Registry Number

  • 37206-28-3

System Generated Number

  • 0028161399

Molecular Formulas

Molecular Formula

  • C20-H28-O2.Na

Molecular Formula Fragments

  • C20-H28-O2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C20H28O2.Na/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;/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22);/q;+1/p-1/t17-,19-,20-;/m1./s1

InChIKey

ZCSNFGCDVJGPDD-YGJXXQMASA-M

Smiles

C[C@@]12c3ccc(C(C)C)cc3CC[C@H]1[C@@](C([O-])=O)(C)CCC2.[Na+]