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Substance Name: Abietic acid, 2-hydroxy-3-sulfopropyl ester, sodium salt
RN: 71328-93-3
InChIKey: BZKPAJVWOBSLCW-AORXRVEESA-N

Molecular Formula

  • C23-H36-O6-S.Na

Molecular Weight

  • 463.5874
 
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Names and Synonyms

Results Name

  • Abietic acid, 2-hydroxy-3-sulfopropyl ester, sodium salt

Synonym

  • Abietic acid, 2-hydroxy-3-sulfopropyl ester, sodium salt

Systematic Names

  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, 2-hydroxy-3-sulfopropyl ester, monosodium salt
  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, 2-hydroxy-3-sulfopropyl ester, sodium salt (1:1)
  • 1-Phenanthrenocarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, 2-hydroxy-3-sulfopropyl ester, monosodium salt

Registry Numbers

CAS Registry Number

  • 71328-93-3

System Generated Number

  • 0071328933

Molecular Formulas

Molecular Formula

  • C23-H36-O6-S.Na

Molecular Formula Fragments

  • C23-H36-O6-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C23H36O6S.Na/c1-15(2)16-6-8-19-17(12-16)7-9-20-22(19,3)10-5-11-23(20,4)21(25)29-13-18(24)14-30(26,27)28;/h7,12,15,18-20,24H,5-6,8-11,13-14H2,1-4H3,(H,26,27,28);/q;+1/t18?,19?,20?,22-,23-;/m1./s1

InChIKey

BZKPAJVWOBSLCW-AORXRVEESA-N

Smiles

[Na+].CC(C)C1=CC2=CCC3[C@](C)(CCC[C@@]3(C)C(=O)OCC(O)CS(=O)(=O)O)C2CC1