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Substance Name: Benzoic acid, (1S,6S,7S,8R,8aR)-octahydro-1,7,8-trihydroxy-6-indolizinyl ester
RN: 121104-76-5
InChIKey: DWBDMLGCCJIACZ-ODXJTPSBSA-N

Molecular Formula

  • C15-H19-N-O5

Molecular Weight

  • 293.3171
 
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Names and Synonyms

Synonyms

  • Castanospermine ester
  • Castanospermine-6-phenylcarboxy
  • MDL 43,305
  • MDL 43305

Systematic Name

  • Benzoic acid, (1S,6S,7S,8R,8aR)-octahydro-1,7,8-trihydroxy-6-indolizinyl ester

Registry Numbers

CAS Registry Number

  • 121104-76-5

System Generated Number

  • 0121104765

Structure Descriptors

InChI

1S/C15H19NO5/c17-10-6-7-16-8-11(13(18)14(19)12(10)16)21-15(20)9-4-2-1-3-5-9/h1-5,10-14,17-19H,6-8H2/t10-,11-,12+,13+,14+/m0/s1

InChIKey

DWBDMLGCCJIACZ-ODXJTPSBSA-N

Smiles

c1ccc(cc1)C(=O)O[C@H]2CN3CC[C@@H]([C@@H]3[C@H]([C@@H]2O)O)O