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Substance Name: 7-O-(4-Methylbenzoyl)castanospermine
RN: 121104-88-9
InChIKey: SMNSLKYEWQSBJL-VQJWOFKYSA-N

Molecular Formula

  • C16-H21-N-O5

Molecular Weight

  • 307.3439
 
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Names and Synonyms

Results Name

  • 7-O-(4-Methylbenzoyl)castanospermine

Synonyms

  • Castanospermine, 7-O-(4-methylbenzoyl)-
  • MDL 29,270
  • MDL 29270

Systematic Name

  • Benzoic acid, 4-methyl-, octahydro-1,6,8-trihydroxy-7-indolizinyl ester, (1S-(1alpha,6beta,7alpha,8beta,8abeta))-

Registry Numbers

CAS Registry Number

  • 121104-88-9

System Generated Number

  • 0121104889

Structure Descriptors

InChI

1S/C16H21NO5/c1-9-2-4-10(5-3-9)16(21)22-15-12(19)8-17-7-6-11(18)13(17)14(15)20/h2-5,11-15,18-20H,6-8H2,1H3/t11-,12-,13+,14+,15+/m0/s1

InChIKey

SMNSLKYEWQSBJL-VQJWOFKYSA-N

Smiles

Cc1ccc(cc1)C(=O)O[C@@H]2[C@H](CN3CC[C@@H]([C@@H]3[C@H]2O)O)O