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Substance Name: Dihydroeptastatin
RN: 138505-91-6
InChIKey: NCQOQKCVFAOKKI-VAKWCGDRSA-M

Molecular Formula

  • C23-H38-O7.Na

Molecular Weight

  • 448.528
 
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Names and Synonyms

Name of Substance

  • Dihydroeptastatin

Synonym

  • 7-(1-((1S,2S,4aR,6R,8S,8aS)-6-Hydroxy-8-((2(S)-methyl-1-oxobutyl)oxy)-1,2,4a,5,6,7,8,8a-octahydro-2-methylnaphthalenyl))-3(R),5(R)-dihydroxyheptanoate

Systematic Name

  • 1-Naphthaleneheptanoic acid, 1,2,4a,5,6,7,8,8a-octahydro-beta,delta,6-trihydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-, monosodium salt, (1S-(1alpha(betaS*,deltaS*),2alpha,4beta,6alpha,8beta(R*),8aalpha))-

Registry Numbers

CAS Registry Number

  • 138505-91-6

System Generated Number

  • 0138505916

Molecular Formulas

Molecular Formula

  • C23-H38-O7.Na

Molecular Formula Fragments

  • C23-H38-O7
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C23H38O7.Na/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28;/h5-6,13-20,22,24-26H,4,7-12H2,1-3H3,(H,27,28);/q;+1/p-1/t13?,14-,15?,16+,17+,18+,19-,20-,22-;/m0./s1

InChIKey

NCQOQKCVFAOKKI-VAKWCGDRSA-M

Smiles

[Na+].C=1[C@@H]([C@@H]([C@H]2[C@H](C[C@@H](C[C@@H]2C1)O)OC([C@@H](CC)C)=O)CC[C@H](C[C@H](CC(=O)[O-])O)O)C