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Substance Name: 6-O-(3-Methylbenzoyl)castanospermine
RN: 121104-90-3
InChIKey: RYYFYLNAGNVQNG-VQJWOFKYSA-N

Molecular Formula

  • C16-H21-N-O5

Molecular Weight

  • 307.3439
 
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Names and Synonyms

Results Name

  • 6-O-(3-Methylbenzoyl)castanospermine

Synonyms

  • Castanospermine, 6-O-(3-methylbenzoyl)-
  • MDL 29,435

Systematic Name

  • Benzoic acid, 3-methyl-, octahydro-1,7,8-trihydroxy-6-indolizinyl ester, (1S-(1alpha,6beta,7alpha,8beta,8abeta))-

Registry Numbers

CAS Registry Number

  • 121104-90-3

System Generated Number

  • 0121104903

Structure Descriptors

InChI

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

InChIKey

RYYFYLNAGNVQNG-VQJWOFKYSA-N

Smiles

Cc1cccc(c1)C(=O)O[C@H]2C[N@@]3CC[C@@H]([C@@H]3[C@H]([C@@H]2O)O)O