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Substance Name: Sodium abietate
RN: 14351-66-7
UNII: 0E9Y24M11F
InChIKey: ITCAUAYQCALGGV-XTICBAGASA-M

Molecular Formula

  • C20-H30-O2.Na

Molecular Weight

  • 324.437
 
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Names and Synonyms

Results Name

  • Sodium abietate

Name of Substance

  • Sodium abietate

Synonyms

  • EINECS 238-313-1
  • Sodium abietate
  • UNII-0E9Y24M11F

Systematic Names

  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodium salt (1:1), (1R,4aR,4bR,10aR)-
  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodium salt, (1R,4aR,4bR,10aR)-
  • Sodium abietate, technical

Superlist Name

  • Abietic acids, sodium salts

Registry Numbers

CAS Registry Number

  • 14351-66-7

FDA UNII

  • 0E9Y24M11F

Related Registry Number

  • 514-10-3 (Parent)

System Generated Number

  • 0014351667

Molecular Formulas

Molecular Formula

  • C20-H30-O2.Na

Molecular Formula Fragments

  • C20-H30-O2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C20H30O2.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;/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22);/q;+1/p-1/t16-,17+,19+,20+;/m0./s1

InChIKey

ITCAUAYQCALGGV-XTICBAGASA-M

Smiles

C1[C@@H]2[C@@]([C@@H]3C(C=C(C(C)C)CC3)=C1)(CCC[C@]2(C(=O)[O-])C)C.[Na+]